%chk=000213215.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213215

0 1
O 0.169491 0.623046 1.102250
N 2.184607 0.023592 -2.329317
C -0.756074 0.217421 0.062901
C 0.059327 -0.287630 -1.144386
C 1.091873 0.756174 -1.608145
C -1.669060 -0.854753 0.653708
C -1.555493 1.470295 -0.271355
C 3.476633 0.050787 -1.563792
C -1.958297 -0.803421 2.025937
C -2.627999 1.393798 -1.172080
C -2.236713 -1.864036 -0.133682
C -1.221454 2.701538 0.308135
C 2.390527 0.565923 -3.704231
C 3.310563 -0.667690 -0.245199
C -2.798583 -1.756481 2.604887
C -3.353887 2.543575 -1.493510
C -3.079213 -2.817157 0.448238
C -1.951227 3.848904 -0.015087
C -3.360688 -2.766317 1.816340
C -3.016506 3.772816 -0.917359
C 3.464322 0.026284 0.963501
C 3.005360 -2.037890 -0.225200
C 3.312439 -0.645710 2.180650
C 2.851733 -2.703396 0.992599
C 3.004311 -2.008870 2.197967
H -0.606870 -0.552661 -1.985677
H 0.577730 -1.232985 -0.875970
H 1.469395 1.323728 -0.726554
H 0.594204 1.508642 -2.254262
H 3.867362 1.080575 -1.408029
H 4.244274 -0.482490 -2.172716
H 0.849381 -0.075687 1.245303
H -1.517654 -0.008718 2.633150
H -2.904273 0.438582 -1.615151
H -2.027730 -1.918067 -1.200894
H -0.391478 2.754016 1.017384
H 1.445738 0.474105 -4.265437
H 3.135071 -0.053424 -4.229873
H 2.718830 1.614644 -3.747285
H -3.018411 -1.710892 3.669886
H -4.186446 2.480603 -2.191464
H -3.516461 -3.600136 -0.168321
H -1.689483 4.802392 0.439560
H -4.016438 -3.508494 2.266769
H -3.584118 4.666184 -1.168261
H 3.698626 1.089091 0.960841
H 2.876865 -2.572160 -1.166943
H 3.434747 -0.103018 3.116844
H 2.612205 -3.765588 1.004411
H 2.885239 -2.529746 3.145718


%chk=000213215-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213215

0 1
O 0.136907 0.794216 1.294120
N 2.174176 0.206934 -2.334050
C -0.765605 0.312261 0.211600
C 0.108574 -0.226599 -0.956763
C 1.073033 0.831949 -1.542405
C -1.699421 -0.766715 0.806995
C -1.577013 1.541407 -0.238903
C 3.454505 0.108283 -1.582590
C -2.419936 -0.446328 1.988850
C -2.646711 1.372433 -1.154752
C -1.864605 -2.055165 0.242221
C -1.263753 2.843033 0.219265
C 2.368108 0.818270 -3.665924
C 3.366783 -0.796848 -0.359130
C -3.282019 -1.386374 2.588273
C -3.383042 2.485879 -1.613246
C -2.730823 -3.000673 0.841686
C -2.006053 3.958197 -0.234573
C -3.442996 -2.671348 2.014958
C -3.064554 3.786465 -1.155011
C 3.419782 -0.259498 0.950538
C 3.213674 -2.198839 -0.514286
C 3.314486 -1.101182 2.085081
C 3.112663 -3.043898 0.612677
C 3.159508 -2.496801 1.918171
H -0.536241 -0.604754 -1.771666
H 0.700775 -1.085541 -0.592587
H 1.482295 1.452147 -0.715839
H 0.506749 1.521177 -2.195470
H 3.818077 1.118674 -1.260707
H 4.210192 -0.297548 -2.283552
H 0.734929 0.043093 1.547375
H -2.291164 0.547404 2.431136
H -2.916327 0.365362 -1.495739
H -1.320316 -2.337679 -0.664477
H -0.446943 2.964967 0.935239
H 1.413610 0.807842 -4.220227
H 3.102087 0.226465 -4.243611
H 2.733118 1.876011 -3.631278
H -3.830513 -1.120621 3.499271
H -4.209036 2.339587 -2.318762
H -2.846519 -3.992900 0.390350
H -1.756654 4.960796 0.132079
H -4.114458 -3.403351 2.477994
H -3.638706 4.651446 -1.506300
H 3.544512 0.821917 1.084182
H 3.156019 -2.617154 -1.526053
H 3.360382 -0.670789 3.092098
H 2.996434 -4.125223 0.477180
H 3.078331 -3.151088 2.793361


