%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       -1.050694    2.329089   -0.274605
8           0       -2.219576    2.611625   -0.011252
7           0       -0.357886    2.795034   -1.330347
1           0       -0.457536    1.647803    0.355519
6           0        1.019642    2.402533   -1.557542
1           0        1.680257    3.276297   -1.509552
1           0        1.324234    1.677541   -0.797768
1           0        1.123083    1.943767   -2.547929
6           0       -0.956166    3.707558   -2.284394
1           0       -1.953053    3.982466   -1.938438
1           0       -0.342731    4.611158   -2.375784
1           0       -1.031526    3.234741   -3.271194
6           0        1.366839   -1.200477    1.023341
8           0        1.155302    0.002222    0.872474
7           0        2.106121   -1.975597    0.207146
1           0        0.941604   -1.759206    1.872768
6           0        2.345021   -3.375729    0.497713
1           0        2.078175   -3.994123   -0.367610
1           0        3.403230   -3.544896    0.728311
1           0        1.740615   -3.688202    1.352511
6           0        2.776500   -1.426842   -0.954694
1           0        2.515973   -0.373533   -1.059488
1           0        3.862957   -1.522820   -0.842947
1           0        2.468322   -1.968576   -1.855846
6           0       -3.547060    1.799692   -3.117306
8           0       -3.125123    1.090491   -4.029391
7           0       -4.383147    2.841357   -3.273485
1           0       -3.257203    1.640086   -2.068068
6           0       -4.883663    3.587603   -2.136883
1           0       -5.964486    3.436097   -2.035674
1           0       -4.378860    3.253920   -1.226217
1           0       -4.688596    4.657863   -2.272504
6           0       -4.864135    3.222900   -4.584998
1           0       -4.461445    2.526594   -5.321067
1           0       -5.958436    3.180461   -4.603497
1           0       -4.538145    4.241817   -4.827313
6           0       -3.916731   -0.364644   -0.109222
8           0       -5.032235   -0.261414   -0.614154
7           0       -3.349461   -1.518870    0.294565
1           0       -3.283031    0.518559    0.069774
6           0       -2.030820   -1.552695    0.889619
1           0       -1.386520   -2.234385    0.324393
1           0       -1.585386   -0.555479    0.879282
1           0       -2.082568   -1.905749    1.926685
6           0       -4.025919   -2.788213    0.125139
1           0       -5.008238   -2.607152   -0.311304
1           0       -3.450395   -3.435721   -0.545739
1           0       -4.142004   -3.286852    1.094650
6           0       -2.424184   -1.864046   -2.838850
8           0       -3.068983   -2.876747   -3.090968
7           0       -1.151198   -1.824742   -2.398519
1           0       -2.858352   -0.865228   -2.986418
6           0       -0.472175   -0.561088   -2.191612
1           0        0.402646   -0.495472   -2.850829
1           0       -1.145883    0.260874   -2.445214
1           0       -0.139785   -0.453890   -1.156067
6           0       -0.385346   -3.031857   -2.172972
1           0       -1.056841   -3.891208   -2.212705
1           0        0.395143   -3.146934   -2.935916
1           0        0.091837   -2.982175   -1.189010
6           0       -6.849159    0.898006   -3.214074
8           0       -7.609375    1.853466   -3.378962
7           0       -6.431601    0.052428   -4.177115
1           0       -6.430687    0.649087   -2.226540
6           0       -5.560723   -1.073100   -3.886176
1           0       -4.650442   -1.006911   -4.488223
1           0       -5.289604   -1.064968   -2.827882
1           0       -6.070897   -2.018791   -4.114976
6           0       -6.830918    0.229402   -5.556325
1           0       -7.422661    1.141931   -5.640244
1           0       -5.940657    0.290339   -6.191468
1           0       -7.434373   -0.623658   -5.893137
6           0       -2.633362   -0.440635   -6.509019
8           0       -3.718317   -0.848416   -6.917217
7           0       -1.579207   -1.225903   -6.192069
1           0       -2.405200    0.632349   -6.418467
6           0       -0.309390   -0.659539   -5.795935
1           0        0.486888   -0.964099   -6.485170
1           0       -0.374822    0.432104   -5.796652
1           0       -0.041610   -0.978280   -4.783253
6           0       -1.681990   -2.668921   -6.238139
1           0       -2.694789   -2.933821   -6.545648
1           0       -0.962301   -3.079321   -6.957041
1           0       -1.481865   -3.100196   -5.251742
6           0       -5.184384   -5.105167   -4.574016
8           0       -6.389451   -4.929929   -4.660277
7           0       -4.513915   -6.186762   -5.015195
1           0       -4.502986   -4.387363   -4.096307
6           0       -3.089295   -6.307413   -4.806863
1           0       -2.564338   -6.423934   -5.761220
1           0       -2.716164   -5.408328   -4.307018
1           0       -2.862707   -7.177856   -4.180288
6           0       -5.194909   -7.276225   -5.682418
1           0       -6.253300   -7.029972   -5.764156
1           0       -4.778002   -7.432552   -6.684291
1           0       -5.079428   -8.205744   -5.111674

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



