%chk=000182349.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182349

0 1
P 1.014991 0.991376 0.423686
O 0.319346 0.592852 1.970930
O 2.554400 0.142942 0.328112
O 1.188458 2.569731 0.181986
N 0.720705 0.136170 -2.206251
C 0.019264 -0.013924 -0.953297
C -1.405963 0.530442 -0.984427
C -0.175938 -1.464991 -0.523389
C -2.325414 -0.503401 -0.656217
C -1.567261 -1.737738 -0.375851
C -1.836849 1.814605 -1.284157
C 0.784906 -2.463672 -0.313073
C -3.702576 -0.242919 -0.648345
C -2.004168 -3.030341 -0.022028
C -3.222349 2.071420 -1.279744
C 0.342979 -3.764075 0.035598
C -4.143549 1.048414 -0.966050
C -1.038317 -4.042861 0.178868
C 0.284358 1.642496 3.030111
C 3.812908 0.910881 0.546345
C 1.596344 1.688985 3.819290
C 4.797381 0.541160 -0.563402
H 0.688540 1.067916 -2.626438
H 1.634250 -0.322191 -2.256119
H -1.121253 2.617077 -1.493181
H 1.852942 -2.234759 -0.383367
H -4.424948 -1.027822 -0.398519
H -3.070509 -3.252451 0.095691
H -3.587994 3.077406 -1.511912
H 1.076691 -4.559275 0.207521
H -5.216889 1.269053 -0.965522
H -1.360234 -5.053662 0.453610
H 0.058700 2.620395 2.564544
H -0.562360 1.331582 3.664787
H 3.584629 1.994398 0.539819
H 4.199185 0.620423 1.541077
H 1.495598 2.379173 4.678330
H 1.853341 0.687037 4.204050
H 2.426708 2.052677 3.187836
H 5.770599 1.037144 -0.387396
H 4.966118 -0.549647 -0.588702
H 4.418030 0.863876 -1.548809


%chk=000182349-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182349

0 1
P 1.048006 1.017489 0.279502
O 0.544985 0.563803 1.890398
O 2.574801 0.189133 0.039030
O 1.145609 2.605997 0.068932
N 0.570126 0.256953 -2.357318
C -0.025573 0.036152 -1.060190
C -1.457369 0.553669 -0.948938
C -0.159061 -1.433341 -0.670522
C -2.327149 -0.507996 -0.566314
C -1.526349 -1.736301 -0.399984
C -1.940936 1.853228 -1.169904
C 0.831108 -2.425171 -0.593129
C -3.709784 -0.270548 -0.420248
C -1.909102 -3.047674 -0.050390
C -3.332574 2.086925 -1.027464
C 0.442641 -3.744670 -0.250282
C -4.205533 1.033896 -0.658287
C -0.914058 -4.051082 0.019296
C 0.248488 1.645730 2.875446
C 3.816281 0.844991 0.535297
C 1.498183 2.017652 3.677702
C 4.991460 0.109784 -0.105123
H 0.473309 1.205259 -2.729473
H 1.499670 -0.150978 -2.486347
H -1.261066 2.674706 -1.420840
H 1.883820 -2.178342 -0.762970
H -4.392461 -1.076094 -0.128054
H -2.955882 -3.291499 0.162334
H -3.734827 3.092014 -1.194591
H 1.199798 -4.533561 -0.181927
H -5.277523 1.234331 -0.550888
H -1.193815 -5.075871 0.288420
H -0.159937 2.526261 2.344997
H -0.533305 1.202860 3.515470
H 3.796509 1.915563 0.254173
H 3.842754 0.762072 1.639382
H 1.233734 2.730811 4.481656
H 1.943583 1.120603 4.142173
H 2.250137 2.499859 3.028085
H 5.945995 0.538640 0.253067
H 4.970793 -0.961748 0.158323
H 4.959316 0.202400 -1.204505


