%chk=000210958.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210958

0 1
O 2.606744 0.759163 1.325284
N -3.951455 -0.843789 -0.060357
N -1.137670 -0.264951 -0.437483
C -3.387293 0.508296 0.260707
C -3.172306 -1.454263 -1.187807
C -1.914104 0.359919 0.686480
C -1.696868 -1.614591 -0.764986
C -5.408886 -0.757273 -0.407815
C 0.293432 -0.187802 -0.257165
C -6.226645 -0.591485 0.885718
C 0.797013 1.205687 -0.284212
C 1.088822 -1.278854 -0.171069
C 1.901825 1.623997 0.477797
C 2.542652 -1.278268 -0.060249
C -7.724756 -0.612782 0.599040
C 0.167080 2.177700 -1.086114
C 3.253884 -0.297395 0.656859
C 2.341378 2.955649 0.504786
C 3.295854 -2.327284 -0.621844
C 0.597178 3.504834 -1.080871
C 1.673030 3.898268 -0.274083
C 4.641847 -0.337720 0.831936
C 4.681501 -2.384344 -0.460627
C 5.354371 -1.398780 0.271961
H -3.969111 0.936072 1.106293
H -3.464679 1.222426 -0.587804
H -3.230668 -0.861600 -2.126572
H -3.596106 -2.459217 -1.400774
H -1.489154 1.359899 0.918529
H -1.848307 -0.250168 1.615515
H -1.629712 -2.322031 0.091886
H -1.119139 -2.045279 -1.611264
H -5.640782 0.063188 -1.119153
H -5.710337 -1.703437 -0.908538
H -5.958461 -1.401176 1.595159
H -5.950523 0.351987 1.395462
H 0.657278 -2.282767 -0.156731
H -8.021403 0.193032 -0.081632
H -8.037918 -1.560075 0.145095
H -8.302907 -0.489453 1.522461
H -0.674796 1.879320 -1.717693
H 3.190836 3.226034 1.129001
H 2.786064 -3.104103 -1.190585
H 0.094273 4.238867 -1.707506
H 1.995033 4.939136 -0.263366
H 5.136249 0.444506 1.404161
H 5.243002 -3.204024 -0.905620
H 6.433543 -1.456572 0.402490


%chk=000210958-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210958

0 1
O 2.802151 0.802778 1.255181
N -3.959617 -0.853787 -0.006483
N -1.105632 -0.340746 -0.175271
C -3.402862 0.477534 0.336094
C -3.114262 -1.496703 -1.040851
C -1.957497 0.343135 0.836967
C -1.661446 -1.654003 -0.557028
C -5.388920 -0.810069 -0.407743
C 0.305238 -0.180806 -0.074718
C -6.347281 -0.463548 0.750647
C 0.778490 1.235055 -0.128272
C 1.155866 -1.271821 -0.084830
C 1.980643 1.678484 0.485818
C 2.621853 -1.280740 -0.086243
C -7.826629 -0.563615 0.319091
C 0.022767 2.208064 -0.843931
C 3.414081 -0.276269 0.541209
C 2.391262 3.026037 0.430070
C 3.325448 -2.390512 -0.642077
C 0.423746 3.557204 -0.912334
C 1.608307 3.975083 -0.261222
C 4.817616 -0.353776 0.601784
C 4.730754 -2.484136 -0.590575
C 5.485214 -1.462303 0.033469
H -4.011924 0.933193 1.135877
H -3.422461 1.167063 -0.548878
H -3.110339 -0.907843 -1.994903
H -3.526148 -2.499073 -1.262432
H -1.539352 1.339267 1.052384
H -1.957711 -0.242266 1.783922
H -1.638746 -2.370613 0.297087
H -1.053810 -2.073333 -1.378843
H -5.556193 -0.091342 -1.253876
H -5.653568 -1.816321 -0.789012
H -6.144091 -1.155028 1.590239
H -6.148964 0.560238 1.123087
H 0.702778 -2.268865 -0.126416
H -8.046996 0.124431 -0.519098
H -8.077105 -1.588920 -0.012671
H -8.503459 -0.305336 1.153363
H -0.885030 1.870332 -1.355260
H 3.318351 3.306901 0.938981
H 2.744190 -3.187616 -1.121713
H -0.181643 4.278200 -1.472022
H 1.923766 5.023463 -0.296929
H 5.364696 0.443317 1.114736
H 5.236423 -3.351138 -1.029325
H 6.576950 -1.530753 0.087649


