%chk=000239789.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239789

0 1
S 3.630889 2.020891 -0.195266
N 2.820699 -0.493468 0.041723
N 1.039770 1.193491 -0.177215
N 0.010062 0.293666 -0.083643
C -3.684006 0.260408 0.010265
C -4.747508 -0.676684 0.097561
C -2.330236 -0.232612 -0.075683
C -4.005280 1.655577 0.014053
C -4.462084 -2.079084 0.098893
C -2.093151 -1.593676 -0.070680
C -6.097244 -0.206109 0.184781
C -3.166694 -2.521723 0.017416
C 4.857627 0.785869 -0.037612
C 4.240562 -0.492621 0.079045
C -5.306776 2.082229 0.099067
C -6.370209 1.138201 0.185731
C -1.217925 0.733085 -0.173165
C 2.345078 0.722080 -0.094433
C 6.238038 0.932008 -0.018331
C 5.033133 -1.641147 0.218080
C 7.016980 -0.220757 0.120619
C 6.419238 -1.487668 0.237023
H -3.192488 2.380216 -0.051769
H -5.291274 -2.782053 0.166363
H -1.069978 -1.979511 -0.131710
H -6.900401 -0.939176 0.250756
H -2.935627 -3.586764 0.018955
H -5.547515 3.144201 0.102161
H -7.393599 1.503517 0.252300
H -1.517442 1.785057 -0.316340
H 6.704103 1.911705 -0.108087
H 4.561835 -2.619445 0.307890
H 8.102549 -0.137632 0.139275
H 7.054070 -2.367980 0.344377
H 0.886404 2.200512 -0.305097


%chk=000239789-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239789

0 1
S 3.663580 2.135668 -0.086923
N 2.859224 -0.464434 0.040777
N 1.059979 1.156852 -0.037915
N 0.038861 0.229856 0.012901
C -3.707504 0.278363 0.028478
C -4.796636 -0.682696 0.075477
C -2.342029 -0.219509 0.040059
C -4.048978 1.672822 -0.026242
C -4.508120 -2.084258 0.132412
C -2.111107 -1.610613 0.097251
C -6.153724 -0.216135 0.065087
C -3.185381 -2.537642 0.143384
C 4.907791 0.809138 -0.022318
C 4.267629 -0.475186 0.041344
C -5.380299 2.097068 -0.034784
C -6.446817 1.146119 0.011093
C -1.197047 0.698157 -0.007575
C 2.385084 0.755749 -0.019043
C 6.307306 0.941099 -0.029437
C 5.065915 -1.641834 0.099018
C 7.087488 -0.238635 0.028859
C 6.470262 -1.515158 0.092391
H -3.262409 2.433184 -0.061818
H -5.342033 -2.795225 0.167366
H -1.074362 -1.961064 0.104528
H -6.961372 -0.957019 0.101041
H -2.969724 -3.610403 0.187235
H -5.611149 3.167301 -0.076835
H -7.486128 1.491557 0.003885
H -1.392920 1.785280 -0.061795
H 6.788466 1.922559 -0.078386
H 4.575326 -2.618191 0.147780
H 8.179781 -0.159878 0.024666
H 7.093494 -2.414735 0.136950
H 0.859156 2.166447 -0.091609


