%mem=127800MB
%nproc=24
#p wB97xd/GENecp nosymm opt freq=noraman scf=(maxcycle=500,xqc) scrf=(smd,solvent=n,n-dimethylformamide)

Cluster -- Equilibrium project

0 1
6           0       -0.987253    2.137462   -0.619103
8           0       -2.093584    2.539971   -0.255572
7           0       -0.351264    2.510503   -1.745616
1           0       -0.407467    1.414054   -0.024488
6           0        0.947597    1.965799   -2.093321
1           0        1.692875    2.767637   -2.156040
1           0        1.258638    1.244770   -1.333528
1           0        0.897758    1.461435   -3.065556
6           0       -0.929768    3.473197   -2.660447
1           0       -1.849736    3.866526   -2.227740
1           0       -0.226468    4.296921   -2.828277
1           0       -1.150168    3.001349   -3.624860
6           0        1.253412   -1.529917    0.624127
8           0        1.101074   -0.325142    0.426719
7           0        1.897239   -2.383969   -0.191950
1           0        0.851672   -2.020580    1.525255
6           0        2.076386   -3.779708    0.157697
1           0        1.705877   -4.421880   -0.649154
1           0        3.137943   -4.000567    0.319823
1           0        1.523855   -4.010166    1.071613
6           0        2.517034   -1.936025   -1.423400
1           0        2.311829   -0.875397   -1.567481
1           0        3.601038   -2.093310   -1.379134
1           0        2.115980   -2.501716   -2.271581
6           0       -3.658100    1.668380   -3.257361
8           0       -3.288049    0.938665   -4.177190
7           0       -4.415370    2.772104   -3.392445
1           0       -3.377348    1.476756   -2.211316
6           0       -4.778069    3.586425   -2.249074
1           0       -5.864439    3.575449   -2.108764
1           0       -4.284107    3.203153   -1.353146
1           0       -4.453076    4.621752   -2.407674
6           0       -4.907804    3.188590   -4.688510
1           0       -4.593678    2.458226   -5.434608
1           0       -6.001611    3.246589   -4.664379
1           0       -4.502531    4.173368   -4.950808
6           0       -3.994616   -0.280544   -0.085633
8           0       -5.143733   -0.098113   -0.487806
7           0       -3.494485   -1.459985    0.328449
1           0       -3.266700    0.544893   -0.018125
6           0       -2.127994   -1.583252    0.791435
1           0       -1.596927   -2.339317    0.203355
1           0       -1.606184   -0.629995    0.684038
1           0       -2.104194   -1.883153    1.846173
6           0       -4.302033   -2.662155    0.335016
1           0       -5.324935   -2.400797    0.063299
1           0       -3.913594   -3.386598   -0.388973
1           0       -4.293528   -3.111951    1.334428
6           0       -2.883883   -2.146956   -2.851726
8           0       -3.609222   -3.136813   -2.917303
7           0       -1.567497   -2.157301   -2.551834
1           0       -3.256058   -1.131234   -3.055640
6           0       -0.793930   -0.930746   -2.543672
1           0        0.045474   -1.011117   -3.245028
1           0       -1.429233   -0.099986   -2.862804
1           0       -0.393332   -0.727054   -1.544132
6           0       -0.866668   -3.394777   -2.283518
1           0       -1.596323   -4.200498   -2.194060
1           0       -0.165832   -3.629626   -3.094664
1           0       -0.300110   -3.309516   -1.350150
6           0       -7.048749    1.147490   -3.003412
8           0       -7.725894    2.163005   -3.159013
7           0       -6.818315    0.212719   -3.948605
1           0       -6.554841    0.912259   -2.047017
6           0       -6.033775   -0.974298   -3.668826
1           0       -5.175922   -1.027724   -4.346006
1           0       -5.668452   -0.940955   -2.639385
1           0       -6.643333   -1.876451   -3.802329
6           0       -7.351601    0.355555   -5.285624
1           0       -7.904235    1.293709   -5.346390
1           0       -6.538169    0.362772   -6.021022
1           0       -8.024853   -0.477458   -5.522810

-C -H -P -F -S -O -N -Br
6-31G(d)
****



