%chk=000215434.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215434

0 1
O -0.447777 0.118892 -0.829678
O 1.654217 -2.779391 -0.536629
O -5.602800 0.006621 1.102699
O -4.713243 2.310534 -0.384219
O 7.795943 1.887442 1.367763
N 4.579741 0.686847 -0.048055
N 2.298771 -0.698222 -1.189804
C 4.600838 -0.804671 -0.210946
C 3.183387 1.166292 0.216300
C 3.687902 -1.205713 -1.387132
C 2.275459 0.768782 -0.968137
C 5.514632 1.122248 1.035693
C 1.356459 -1.593086 -0.662349
C -0.017682 -1.152969 -0.349555
C -1.025112 -1.807899 0.323861
C -2.177192 -0.923099 0.307387
C 6.885708 1.380118 0.383041
C -1.769947 0.234541 -0.412640
C -3.486228 -1.004136 0.806533
C -2.588597 1.340877 -0.658441
C -4.318716 0.082483 0.574355
C -3.876993 1.243455 -0.140420
C -0.970767 -3.141277 0.945090
C -6.539243 0.913503 0.460712
C -5.939356 2.313541 0.406057
H 5.643798 -1.114185 -0.437222
H 4.291621 -1.349325 0.707781
H 2.760545 0.778442 1.167439
H 3.208963 2.275450 0.295557
H 4.069605 -0.776207 -2.340815
H 3.670981 -2.315751 -1.498089
H 1.241016 1.140412 -0.795219
H 2.636998 1.255751 -1.905190
H 5.608071 0.394519 1.867770
H 5.164007 2.069771 1.502019
H 6.838007 2.198020 -0.361807
H 7.309304 0.478430 -0.088330
H -3.838196 -1.877702 1.351404
H -2.252444 2.212160 -1.211882
H -0.016795 -3.658306 0.713378
H -1.058754 -3.084658 2.039900
H -1.781509 -3.790522 0.581272
H -7.423148 0.840174 1.119887
H -6.771370 0.514130 -0.543435
H -6.562860 3.042708 -0.141924
H -5.678968 2.698885 1.409009
H 8.008025 1.203387 2.030009


%chk=000215434-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215434

0 1
O -0.519386 0.180043 -0.779342
O 1.564714 -2.798617 -0.594449
O -5.828847 -0.106760 0.921126
O -4.932823 2.290347 -0.494490
O 8.265484 1.740921 0.994805
N 4.731046 0.719652 0.033657
N 2.317294 -0.604474 -0.835004
C 4.725157 -0.741271 -0.234666
C 3.401513 1.163622 0.518596
C 3.644001 -1.090515 -1.275130
C 2.303956 0.840694 -0.519675
C 5.848933 1.151840 0.902617
C 1.320900 -1.539888 -0.568769
C -0.063026 -1.090865 -0.273880
C -1.096797 -1.768688 0.367758
C -2.265562 -0.903716 0.293149
C 7.173383 1.283068 0.121045
C -1.875160 0.266586 -0.417768
C -3.603466 -1.018804 0.740880
C -2.733424 1.335587 -0.696082
C -4.492280 0.034458 0.469912
C -4.058684 1.211716 -0.231731
C -1.055268 -3.121493 1.021668
C -6.765981 0.830069 0.266880
C -6.185474 2.245100 0.292028
H 5.710894 -1.045678 -0.629317
H 4.534928 -1.327913 0.699993
H 3.129068 0.678991 1.491489
H 3.428760 2.257273 0.678627
H 3.894822 -0.602614 -2.236951
H 3.576784 -2.181002 -1.414522
H 1.318411 1.139075 -0.139379
H 2.506326 1.411754 -1.446711
H 5.996833 0.457323 1.772009
H 5.609677 2.144765 1.325429
H 7.077488 2.063145 -0.649395
H 7.441855 0.328448 -0.378209
H -3.969943 -1.899638 1.275331
H -2.419199 2.232421 -1.234058
H -0.051783 -3.564144 0.943481
H -1.349750 -3.051629 2.086263
H -1.768410 -3.810297 0.529690
H -7.700717 0.763823 0.845949
H -6.945584 0.503946 -0.776206
H -6.858276 2.973099 -0.188554
H -5.973243 2.557688 1.332669
H 8.417157 1.063848 1.702230


