%chk=000233246.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233246

0 1
O 4.730146 -1.460028 -0.005460
N -1.428381 0.028088 3.034897
C -0.706621 0.153987 0.506459
C -1.697483 -0.773788 -0.285277
C -0.858165 1.652452 0.054495
C -1.576789 -2.245140 0.161270
C -3.164072 -0.316557 -0.148824
C 0.033944 2.599231 0.882098
C -0.562242 1.848519 -1.444429
C -2.491615 -3.144463 -0.681355
C -4.087805 -1.202658 -0.996259
C -0.209860 4.061046 0.480565
C -0.819646 3.304800 -1.858603
C 0.737801 -0.309369 0.340765
C -3.952986 -2.680967 -0.605559
C 0.023297 4.276634 -1.021098
C -1.098830 0.083723 1.928801
C 1.653687 -0.216906 1.409408
C 1.189280 -0.804937 -0.889541
C 2.976363 -0.611533 1.257092
C 2.515660 -1.208590 -1.073417
C 3.398892 -1.108060 0.006275
C 5.278814 -1.990204 -1.235863
H -1.414418 -0.708697 -1.366815
H -1.926854 1.939509 0.236010
H -1.844172 -2.342445 1.231870
H -0.529991 -2.593241 0.081861
H -3.271635 0.741036 -0.456825
H -3.482082 -0.360192 0.911559
H 1.100983 2.343875 0.730035
H -0.161316 2.475962 1.963474
H -1.185175 1.169490 -2.055540
H 0.492578 1.587242 -1.659173
H -2.152290 -3.148232 -1.734456
H -2.410320 -4.190639 -0.330665
H -5.136838 -0.874580 -0.870534
H -3.853938 -1.074749 -2.070182
H 0.456852 4.723379 1.064209
H -1.242615 4.357310 0.747052
H -1.893817 3.546055 -1.745366
H -0.588728 3.434420 -2.932335
H -4.583586 -3.305960 -1.264119
H -4.338401 -2.831442 0.421759
H -0.217908 5.320148 -1.295281
H 1.096386 4.137344 -1.255329
H 1.334136 0.170177 2.379673
H 0.498043 -0.887321 -1.731790
H 3.689015 -0.547710 2.076941
H 2.835254 -1.589137 -2.037034
H 5.217202 -1.243813 -2.032690
H 4.774402 -2.921906 -1.506990
H 6.323144 -2.177161 -0.952362


%chk=000233246-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233246

0 1
O 4.831729 -1.546094 0.054608
N -1.478410 0.113605 3.054763
C -0.708920 0.149039 0.488456
C -1.714347 -0.801181 -0.296810
C -0.843271 1.679105 0.036457
C -1.625966 -2.268064 0.203944
C -3.186484 -0.313482 -0.250213
C 0.111769 2.612812 0.825281
C -0.664267 1.911802 -1.485566
C -2.556886 -3.207006 -0.598824
C -4.123103 -1.255756 -1.046459
C -0.142044 4.097285 0.472845
C -0.922480 3.395680 -1.848981
C 0.756314 -0.343701 0.355206
C -4.022325 -2.717113 -0.554018
C -0.002799 4.346192 -1.047245
C -1.115054 0.116269 1.917797
C 1.634610 -0.379264 1.472288
C 1.282394 -0.735213 -0.900281
C 2.975721 -0.780140 1.342582
C 2.626970 -1.142437 -1.051849
C 3.482258 -1.162551 0.076677
C 5.396654 -1.960156 -1.231513
H -1.397534 -0.790133 -1.360176
H -1.878355 1.982136 0.300805
H -1.914546 -2.302272 1.274449
H -0.582506 -2.627754 0.142244
H -3.276018 0.710437 -0.659000
H -3.522645 -0.270734 0.805968
H 1.162265 2.354175 0.586262
H -0.019867 2.459538 1.913589
H -1.349307 1.267240 -2.069132
H 0.369639 1.644075 -1.779840
H -2.217855 -3.249688 -1.655533
H -2.481951 -4.236502 -0.198433
H -5.166475 -0.893634 -0.967141
H -3.853306 -1.216183 -2.123134
H 0.563818 4.740567 1.032929
H -1.163338 4.384166 0.799428
H -1.982260 3.646080 -1.633257
H -0.774328 3.543905 -2.936498
H -4.668916 -3.374125 -1.167553
H -4.395829 -2.779072 0.488780
H -0.238424 5.400699 -1.289093
H 1.051180 4.173702 -1.349195
H 1.263051 -0.098138 2.463713
H 0.642042 -0.742968 -1.788191
H 3.645305 -0.808645 2.207467
H 2.986279 -1.440990 -2.041229
H 5.356267 -1.138781 -1.973627
H 4.873702 -2.849706 -1.634001
H 6.445149 -2.213025 -1.016348


