DEBUG
SLOPPYCONV 1.0D-2
TIGHTCONV 1.0D-5
MAXERISE 1.0D-4
comment DUMPINT 1
DUMP
TRACKDATA
UPDATES 5000
MAXIT 20000 60000
MAXBFGS 1.0
DUMPSTRUCTURES
DUMPSTEPS
SAVE 1
DUMPQU
TEMPERATURE 0.592
STEPS 1 
STEP 0.004
RADIUS 3000

DMACRYS
TITL
 benzene_m.res.dmain benzene_monoclinic
ENDS
SCAL 1.0
CHGC
   PRIN BASI 0 PLUT 12 MOLE 1 BOND 2 TORS 2 MINI 2 GEOM 1
CUTO    8.191500   1.831166
RDMA    1.831166
LATT
            0.6316329645047    0.0000000000000    0.2626117660936
            0.0000000000000    0.6866996276628    0.0000000000000
            0.0000000000000    0.0000000000000    1.0000000000000
BASI
C_W3_1____1____    0.0466227240090       0.1589084741378       0.2737191622907      1
 LEVEL  4
  -0.168947
   0.000000   0.088979   0.022342
   0.086612   0.000000   0.000000  -0.211935  -0.028787
   0.000000  -0.791424  -0.059910   0.000000   0.000000   1.589487  -0.038237
   1.321904   0.000000   0.000000   1.783678   0.081019   0.000000   0.000000
  -0.903081   0.160597
C_W3_1____13___    0.5850102404957       0.5022582879692       0.9888926038030      2
DUPL
C_W3_2____2____    0.1366929531144       0.1707615964109       0.4181903375239      1
 LEVEL  4
  -0.169028
   0.000000   0.025137   0.088161
   0.086875   0.000000   0.000000   0.131138  -0.169345
   0.000000  -0.343904  -0.715309   0.000000   0.000000  -1.589651   0.038241
   1.321571   0.000000   0.000000  -0.962128   1.503972   0.000000   0.000000
   0.590752   0.701853
C_W3_2____14___    0.4949400113903       0.5141114102423       0.8444214285698      2
DUPL
C_W3_3____3____    0.0681197203229       0.0246854782152       0.1705278911379      1
 LEVEL  4
  -0.169113
   0.000000   0.063887  -0.065752
   0.086857   0.000000   0.000000   0.081321   0.198141
   0.000000  -0.447494   0.655530   0.000000   0.000000  -1.589661   0.038489
   1.321669   0.000000   0.000000  -0.821278  -1.585293   0.000000   0.000000
   0.312531  -0.862322
C_W3_3____15___    0.5635132441818       0.3680352920466       1.0920838749557      2
DUPL
C_W3_4____4____    0.2482664948634       0.0483924094610       0.4594728677219      1
 LEVEL  4
  -0.099718
   0.000000  -0.116740   0.202013
  -0.093825   0.000000   0.000000  -0.049743  -0.096031
   0.000000   0.571722  -0.972251   0.000000   0.000000   2.526803   0.034399
   1.508365   0.000000   0.000000  -0.728617  -1.132560   0.000000   0.000000
  -0.798313   1.040129
C_W3_4____16___    0.3833664696413       0.3917422232924       0.8031388983717      2
DUPL
C_W3_5____5____    0.1796989467686      -0.0976830220350       0.2118137848419      1
 LEVEL  4
  -0.053262
   0.000000  -0.178004  -0.352845
  -0.224225   0.000000   0.000000  -0.221128   0.441117
   0.000000   0.702513   1.336668   0.000000   0.000000   3.316072  -0.038665
   1.529482   0.000000   0.000000  -0.433586   0.588235   0.000000   0.000000
  -1.593134  -3.077429
C_W3_5____17___    0.4519340177361       0.2456667917964       1.0507979812518      2
DUPL
C_W3_6____6____    0.2697685442411      -0.0858298997619       0.3562756974633      1
 LEVEL  4
  -0.180294
   0.000000  -0.097437   0.000006
   0.111676   0.000000   0.000000  -0.179576   0.000001
   0.000000   0.814160  -0.000114   0.000000   0.000000  -1.516126   0.000054
   1.239916   0.000000   0.000000   1.692224  -0.000017   0.000000   0.000000
  -0.921914   0.000030
C_W3_6____18___    0.3618644202636       0.2575199140695       0.9063360686303      2
DUPL
H_W1_1____7____   -0.0324236149669       0.2455974351340       0.2444813502111      1
 LEVEL  4
   0.140033
   0.000000  -0.079722  -0.000002
   0.007236   0.000000   0.000000  -0.015054  -0.000001
   0.000000   0.000411   0.000000   0.000000   0.000000  -0.001900   0.000000
   0.001563   0.000000   0.000000  -0.001745   0.000000   0.000000   0.000000
   0.001810   0.000000
H_W1_1____19___    0.6640565794716       0.5889472489654       1.0181304158825      2
DUPL
H_W1_2____8____    0.1214630190743       0.2658475204541       0.4912972426198      1
 LEVEL  4
   0.140077
   0.000000  -0.039864  -0.069039
   0.007233   0.000000   0.000000   0.007522  -0.013034
   0.000000   0.000204   0.000353   0.000000   0.000000   0.001895  -0.000001
   0.001565   0.000000   0.000000   0.000874  -0.001513   0.000000   0.000000
  -0.000906  -0.001570
H_W1_2____20___    0.5101699454305       0.6091973342855       0.7713145234738      2
DUPL
H_W1_3____9____    0.0043090000839       0.0162898885674       0.0681765374683      1
 LEVEL  4
   0.140095
   0.000000  -0.039866   0.069039
   0.007233   0.000000   0.000000   0.007521   0.013035
   0.000000   0.000204  -0.000352   0.000000   0.000000   0.001895   0.000002
   0.001565   0.000000   0.000000   0.000874   0.001513   0.000000   0.000000
  -0.000905   0.001571
H_W1_3____21___    0.6273239644209       0.3596397023988       1.1944352286254      2
DUPL
H_W1_4____10___    0.3120772151025       0.0567886858085       0.5618242213916      1
 LEVEL  4
   0.140081
   0.000000   0.039866  -0.069036
   0.007232   0.000000   0.000000   0.007520   0.013034
   0.000000  -0.000204   0.000352   0.000000   0.000000  -0.001895  -0.000003
   0.001565   0.000000   0.000000   0.000874   0.001513   0.000000   0.000000
  -0.000905   0.001571
H_W1_4____22___    0.3195557494022       0.4001384996399       0.7007875447021      2
DUPL
H_W1_5____11___    0.1949288808088      -0.1927689460783       0.1387058797459      1
 LEVEL  4
   0.140065
   0.000000   0.039864   0.069036
   0.007232   0.000000   0.000000   0.007521  -0.013033
   0.000000  -0.000204  -0.000352   0.000000   0.000000  -0.001895   0.000002
   0.001565   0.000000   0.000000   0.000874  -0.001513   0.000000   0.000000
  -0.000906  -0.001570
H_W1_5____23___    0.4367040836960       0.1505808677532       1.1239058863477      2
DUPL
H_W1_6____12___    0.3488091985203      -0.1725195474577       0.3855191460370      1
 LEVEL  4
   0.140012
   0.000000   0.079722  -0.000001
   0.007237   0.000000   0.000000  -0.015054   0.000001
   0.000000  -0.000412   0.000000   0.000000   0.000000   0.001900  -0.000001
   0.001563   0.000000   0.000000  -0.001745   0.000000   0.000000   0.000000
   0.001810   0.000001
H_W1_6____24___    0.2828237659844       0.1708302663737       0.8770926200567      2
DUPL
ENDS
POTE
SPEC
 C_  0.0   12.010700
 H_  0.0    1.007940
ENDS
BUCK  C_W3    C_W3
     2802.334865       0.27777778        17.638572     0.00    70.00
ENDS
BUCK  C_W3    H_W1
      606.884476       0.27932961         7.133938     0.00    70.00
ENDS
BUCK  H_W1    H_W1
      131.429249       0.28089888         2.885328     0.00    70.00
ENDS
ENDS
MOLE
NFXP
CUTM 20.0
NBUR 20
NNCU
 C_  C_   1.650
 C_  H_   1.200
ENDS
MOLX   1
X LINE C_W3_1____ C_W3_6____    3
Y PLANE C_W3_1____ C_W3_6____    3 C_W3_2____    1
ENDS
STOP
STAR PLUT
CONP
NOPR
MAXI 1000
MAXD 0.5
STAR
STOP
