%chk=000001956.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001956

0 1
P -1.297781 3.067955 -0.422610
O -0.061711 4.034097 0.309420
O -2.773922 3.602307 0.306124
O -1.287173 3.110446 -2.021372
O 2.408836 0.191110 0.405569
O 1.180995 0.983383 2.268246
N 0.267651 0.877725 0.094387
N -6.262820 -2.654528 0.611131
N -5.464456 -2.953459 -1.656680
C -1.032104 1.409849 0.473883
C -2.192032 0.456410 0.225541
C -2.810456 -0.179710 1.326869
C -2.623039 0.136921 -1.089698
C -4.287932 -1.427582 -0.188627
C -3.848324 -1.113504 1.123145
C -3.657168 -0.795513 -1.290900
C 1.273124 0.715888 1.037430
C 3.573155 -0.061356 1.324116
C -5.394555 -2.406534 -0.458260
C 4.704966 -0.592888 0.481349
C 4.864855 -1.988379 0.290089
C 5.622773 0.295857 -0.133258
C 5.920160 -2.488423 -0.504687
C 6.678984 -0.200110 -0.929033
C 6.829605 -1.594215 -1.116226
H -0.964907 1.676224 1.542684
H 0.441240 0.560006 -0.861014
H -2.471957 0.046932 2.344273
H -2.167671 0.637009 -1.953807
H -4.277495 -1.621591 1.994440
H -4.001585 -1.063053 -2.294194
H 0.315202 4.725102 -0.293162
H -3.350139 4.141812 -0.292649
H 3.823359 0.892847 1.820257
H 3.245562 -0.781649 2.094524
H 4.158690 -2.682184 0.762206
H 5.505873 1.376792 0.010542
H 6.034777 -3.568861 -0.645376
H 7.383059 0.495283 -1.399190
H 7.650349 -1.980327 -1.731134
H -7.012145 -3.336132 0.511751
H -6.258078 -2.074023 1.446646
H -6.272462 -3.599338 -1.773343


%chk=000001956-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000001956

0 1
P -1.298318 3.067904 -0.423439
O -0.059336 4.032647 0.305401
O -2.771890 3.603081 0.309773
O -1.292261 3.110898 -2.022222
O 2.408166 0.189427 0.400994
O 1.179833 0.979923 2.255867
N 0.267399 0.876765 0.089652
N -6.262924 -2.654256 0.614294
N -5.468213 -2.951756 -1.654989
C -1.031657 1.409119 0.471572
C -2.192144 0.456079 0.224391
C -2.808187 -0.181456 1.326221
C -2.626005 0.138368 -1.090362
C -4.289049 -1.427178 -0.187753
C -3.846570 -1.114875 1.123489
C -3.660637 -0.793715 -1.290562
C 1.272576 0.714070 1.030249
C 3.570578 -0.063118 1.322176
C -5.396312 -2.405698 -0.456299
C 4.704688 -0.593296 0.481619
C 4.865077 -1.988494 0.288512
C 5.624203 0.296456 -0.129007
C 5.922594 -2.487250 -0.504121
C 6.682629 -0.198234 -0.922622
C 6.833751 -1.592043 -1.111654
H -0.962480 1.674619 1.540505
H 0.440101 0.559156 -0.866065
H -2.467398 0.043757 2.343172
H -2.172546 0.639621 -1.954810
H -4.273863 -1.624104 1.995034
H -4.007252 -1.059899 -2.293460
H 0.316895 4.723141 -0.298205
H -3.348910 4.144150 -0.286809
H 3.818799 0.890864 1.819641
H 3.241385 -0.784126 2.091168
H 4.157628 -2.683065 0.757575
H 5.506950 1.377156 0.016271
H 6.037610 -3.567458 -0.646231
H 7.388037 0.497909 -1.389657
H 7.656214 -1.977165 -1.724880
H -7.012529 -3.335656 0.515633
H -6.256793 -2.074290 1.450175
H -6.276535 -3.597385 -1.770835


