%chk=000001930.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001930

0 1
O 5.479315 -0.896934 1.051629
N 5.881736 0.827965 -0.465771
C -2.119499 2.583291 -0.100099
C -2.895174 1.320162 0.331371
C -0.962549 -2.460875 -0.371269
C 0.517083 -2.550908 0.059736
C -0.636323 2.545791 0.335692
C -4.366814 1.292069 -0.137071
C -1.839387 -3.631691 0.126414
C 1.339087 -1.321235 -0.392035
C 0.171022 3.790727 -0.092725
C -5.105797 -0.001669 0.303998
C -3.327184 -3.480210 -0.295268
C 2.817598 -1.377301 0.046387
C 1.656619 3.727701 0.331374
C -4.504841 -1.236298 -0.329616
C -3.968425 -2.265246 0.336929
C 3.603826 -0.124872 -0.388397
C 2.462113 4.973347 -0.097018
C 5.051318 -0.118106 0.131452
H -2.608495 3.485904 0.323283
H -2.175082 2.690759 -1.204056
H -2.865822 1.231979 1.438088
H -2.375310 0.423403 -0.064509
H -1.390445 -1.508557 0.004635
H -1.020336 -2.410555 -1.479326
H 0.574512 -2.642282 1.164534
H 0.973958 -3.475594 -0.351077
H -0.582657 2.436296 1.439254
H -0.157339 1.636963 -0.089469
H -4.405750 1.379776 -1.243368
H -4.906596 2.174938 0.262839
H -1.775843 -3.697382 1.232857
H -1.444064 -4.591685 -0.264167
H 1.278789 -1.230134 -1.497460
H 0.867259 -0.402943 0.021666
H 0.110125 3.908688 -1.195170
H -0.295074 4.699875 0.341913
H -6.176397 0.084853 0.022085
H -5.075487 -0.090453 1.408578
H -3.878271 -4.396496 0.004540
H -3.398275 -3.415432 -1.399714
H 3.302628 -2.280226 -0.372779
H 2.887753 -1.478344 1.145422
H 1.715993 3.607381 1.432451
H 2.119437 2.816989 -0.104855
H -4.498393 -1.259367 -1.432603
H -3.962469 -2.235693 1.439771
H 3.604715 -0.033784 -1.493700
H 3.096489 0.784559 -0.000620
H 2.447554 5.096920 -1.196530
H 2.034202 5.891871 0.347296
H 3.518374 4.905118 0.222806
H 6.845734 0.902902 -0.141896
H 5.555064 1.448045 -1.204528


%chk=000001930-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001930

0 1
O 5.347747 -0.630226 1.419479
N 6.128027 0.268557 -0.568129
C -2.202754 2.670279 -0.044660
C -2.928414 1.374078 0.378888
C -0.907120 -2.490296 -0.418570
C 0.572616 -2.612368 0.008147
C -0.713094 2.687288 0.368734
C -4.399694 1.305497 -0.085127
C -1.795220 -3.656168 0.068581
C 1.417868 -1.389834 -0.417815
C 0.036860 3.967598 -0.061191
C -5.113968 -0.016802 0.320952
C -3.292644 -3.495356 -0.325486
C 2.891427 -1.477745 0.033053
C 1.531919 3.960656 0.332889
C -4.502775 -1.241079 -0.331325
C -3.945726 -2.292227 0.325784
C 3.713111 -0.237313 -0.383765
C 2.278093 5.242506 -0.095766
C 5.115489 -0.230827 0.240427
H -2.718887 3.548408 0.397292
H -2.277088 2.788669 -1.146398
H -2.889394 1.273207 1.484238
H -2.380751 0.500945 -0.029277
H -1.318464 -1.537700 -0.028516
H -0.968512 -2.422501 -1.525570
H 0.628576 -2.725604 1.110889
H 1.012705 -3.536392 -0.421965
H -0.637067 2.569521 1.470113
H -0.205561 1.802524 -0.072261
H -4.441549 1.416791 -1.189061
H -4.962699 2.163027 0.337191
H -1.717713 -3.738773 1.172793
H -1.413706 -4.612469 -0.344307
H 1.367931 -1.278036 -1.521885
H 0.960937 -0.470744 0.008151
H -0.050383 4.094166 -1.160944
H -0.455753 4.853128 0.392477
H -6.183735 0.061932 0.034504
H -5.085102 -0.128253 1.423263
H -3.833320 -4.418024 -0.027221
H -3.378602 -3.416347 -1.427773
H 3.359447 -2.389476 -0.389373
H 2.952675 -1.577103 1.132933
H 1.618994 3.829841 1.430816
H 2.022945 3.075113 -0.123461
H -4.501288 -1.246808 -1.434447
H -3.936095 -2.280720 1.428774
H 3.771991 -0.158671 -1.487361
H 3.191414 0.674967 -0.025409
H 2.235752 5.378728 -1.193147
H 1.824169 6.137918 0.369353
H 3.342656 5.211230 0.201339
H 7.072324 0.326505 -0.186512
H 5.955612 0.578782 -1.522436


