%chk=000224139.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224139

0 1
N 2.641205 2.620719 -0.467492
N -2.641921 2.619455 0.467063
C 0.543985 3.792733 -0.538156
C 0.543912 1.240076 -0.538409
C -0.545288 3.792513 0.537709
C -0.543929 1.239854 0.538224
C 1.357390 2.517382 -0.503563
C -1.358054 2.516746 0.503252
C 5.220535 0.264554 0.712036
C -5.221129 0.262898 -0.711834
C 6.097332 -0.229869 1.840172
C -6.098656 -0.231135 -1.839573
C 5.523093 -0.442209 -0.495034
C -5.522302 -0.444892 0.494984
C 6.936531 -1.297362 1.175715
C -6.936764 -1.299518 -1.175169
C 6.586812 -1.411360 -0.207162
C -6.585798 -1.414351 0.207323
C 3.559171 1.530152 -0.463258
C -3.559364 1.528449 0.462949
C 4.246688 1.243725 0.742323
C -4.247796 1.242573 -0.742244
C 4.844627 -0.149912 -1.669108
C -4.842969 -0.153119 1.668684
C 3.850482 0.840298 -1.651597
C -3.849313 0.837583 1.651032
C 7.920475 -2.099957 1.725217
C -7.920792 -2.102191 -1.724406
C 7.230479 -2.330318 -1.022429
C -7.228316 -2.334214 1.022476
C 8.568584 -3.030790 0.890531
C -8.567729 -3.033945 -0.889839
C 8.230025 -3.143490 -0.457307
C -8.227954 -3.147461 0.457624
H 1.199253 4.682984 -0.409295
H 0.091461 3.901510 -1.546900
H 0.085175 1.134075 -1.544845
H 1.191151 0.346185 -0.415040
H -1.201002 4.682422 0.408754
H -0.092820 3.901625 1.546441
H -0.085140 1.134180 1.544668
H -1.190714 0.345620 0.414937
H 5.501799 -0.635131 2.679599
H 6.722210 0.582886 2.258255
H -5.503646 -0.635499 -2.679804
H -6.724288 0.581618 -2.256531
H 4.017241 1.797930 1.648164
H -4.019396 1.797560 -1.647876
H 5.074267 -0.677463 -2.592901
H -5.071557 -0.681450 2.592292
H 3.320529 1.087860 -2.567958
H -3.318698 1.084730 2.567120
H 8.193976 -2.020809 2.773680
H -8.195235 -2.022413 -2.772575
H 6.973643 -2.423806 -2.074153
H -6.970527 -2.428342 2.073910
H 9.345067 -3.668679 1.309436
H -9.344264 -3.671907 -1.308539
H 8.743619 -3.868863 -1.085924
H -8.740654 -3.873541 1.086155


%chk=000224139-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000224139

0 1
N 2.689665 2.647027 -0.272098
N -2.690517 2.645856 0.272304
C 0.581431 3.831633 -0.518252
C 0.577369 1.264578 -0.526670
C -0.582756 3.831282 0.518525
C -0.577610 1.264219 0.526381
C 1.396764 2.551817 -0.446788
C -1.397551 2.551134 0.446822
C 5.448464 0.378838 0.782772
C -5.448599 0.376795 -0.782542
C 6.513707 0.024765 1.815462
C -6.513844 0.022491 -1.815152
C 5.524011 -0.526176 -0.322692
C -5.523621 -0.528469 0.322754
C 7.209148 -1.180870 1.190281
C -7.208677 -1.183578 -1.190132
C 6.611035 -1.488446 -0.071516
C -6.610267 -1.491152 0.071525
C 3.588083 1.545172 -0.280466
C -3.588518 1.543656 0.280644
C 4.506963 1.415951 0.801802
C -4.507514 1.414287 -0.801506
C 4.641135 -0.379386 -1.415319
C -4.640665 -0.381522 1.415295
C 3.674350 0.647616 -1.387702
C -3.674295 0.645871 1.387735
C 8.277816 -1.951452 1.679552
C -8.277064 -1.954536 -1.679427
C 7.087261 -2.571057 -0.844792
C -7.085910 -2.574134 0.844637
C 8.754461 -3.038979 0.903289
C -8.753120 -3.042439 -0.903330
C 8.162537 -3.343950 -0.348032
C -8.160901 -3.347407 0.347852
H 1.249458 4.693555 -0.357661
H 0.144397 3.922414 -1.533945
H 0.128266 1.182213 -1.536929
H 1.217315 0.378776 -0.375325
H -1.251156 4.692950 0.358115
H -0.145751 3.922053 1.534233
H -0.128470 1.181792 1.536619
H -1.217185 0.378187 0.374821
H 6.069469 -0.219471 2.800472
H 7.216205 0.864170 1.986154
H -6.069652 -0.221329 -2.800286
H -7.216728 0.861634 -1.985546
H 4.454975 2.136256 1.625011
H -4.455923 2.134771 -1.624584
H 4.698559 -1.050024 -2.280091
H -4.697713 -1.052337 2.279955
H 2.997169 0.787979 -2.238007
H -2.997074 0.786352 2.237988
H 8.740883 -1.720809 2.646180
H -8.740356 -1.723900 -2.645947
H 6.635345 -2.813068 -1.813509
H -6.633761 -2.816146 1.813245
H 9.587044 -3.648312 1.272512
H -9.585475 -3.652070 -1.272576
H 8.543659 -4.187210 -0.935138
H -8.541569 -4.190964 0.934828


