%chk=000001642.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001642

0 1
O 1.365472 -1.945590 0.632097
O 5.001011 -1.871019 0.547376
N 1.907223 1.627127 -0.103653
N 2.052152 0.220912 0.321316
N -0.523696 -1.176126 -1.565141
C -0.313267 -0.388980 -0.321294
C -0.434916 1.124087 -0.632374
C 3.408696 -0.049173 0.836832
C 0.878332 1.718205 -1.168291
C 3.298823 1.987585 -0.509561
C 4.157753 1.300973 0.574293
C 1.086489 -0.751627 0.253464
C -1.365554 -0.837091 0.753471
C 4.042766 -1.234372 0.090308
C -2.791624 -0.397359 0.464409
C -3.397129 0.622958 1.244048
C -3.554131 -0.990975 -0.576942
C -4.724007 1.043168 0.994878
C -4.879165 -0.572097 -0.830993
C -5.470667 0.446321 -0.046726
H -0.708011 1.670638 0.287643
H -1.256885 1.267456 -1.355157
H 3.395691 -0.299653 1.912385
H 1.212035 1.191486 -2.097859
H 0.751391 2.788616 -1.406430
H 3.405201 3.084138 -0.511835
H 3.547008 1.593029 -1.523067
H 5.200467 1.142137 0.257336
H 4.160332 1.902960 1.497597
H -1.044466 -0.430419 1.731418
H -1.290672 -1.937831 0.830964
H -0.244963 -2.158914 -1.445212
H -0.088193 -0.758539 -2.396354
H 3.623159 -1.435614 -0.926016
H -2.828333 1.082524 2.062957
H -3.090049 -1.766647 -1.193101
H -5.174407 1.827774 1.613839
H -5.453075 -1.043260 -1.637517
H -6.501192 0.765492 -0.240411


%chk=000001642-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000001642

0 1
O 1.292247 -1.948178 0.862672
O 5.263038 -0.954299 -0.688282
N 1.893813 1.547177 -0.114104
N 2.080103 0.136100 0.273855
N -0.498646 -1.306821 -1.466718
C -0.316962 -0.438208 -0.269758
C -0.422712 1.049612 -0.693803
C 3.466523 -0.091223 0.768702
C 0.907477 1.620689 -1.216705
C 3.280489 2.015396 -0.401058
C 4.113731 1.310967 0.693037
C 1.067742 -0.791248 0.359457
C -1.402629 -0.801898 0.799024
C 4.141348 -1.126712 -0.155549
C -2.815588 -0.343301 0.469356
C -3.451499 0.632102 1.281566
C -3.538673 -0.876918 -0.631484
C -4.769981 1.064629 1.009472
C -4.854724 -0.444622 -0.908464
C -5.477814 0.526624 -0.089397
H -0.731170 1.655756 0.176294
H -1.217539 1.136087 -1.455048
H 3.431742 -0.514993 1.791562
H 1.268468 1.072609 -2.122222
H 0.789997 2.686080 -1.481567
H 3.313259 3.114214 -0.330438
H 3.624772 1.700952 -1.413349
H 5.177206 1.232533 0.417245
H 4.013759 1.837959 1.655332
H -1.089397 -0.352246 1.760361
H -1.358504 -1.898258 0.941361
H -0.285410 -2.291045 -1.255404
H 0.023297 -0.980677 -2.290102
H 3.544039 -2.051966 -0.316352
H -2.912152 1.048183 2.142403
H -3.047942 -1.613654 -1.274166
H -5.243197 1.814350 1.654176
H -5.397343 -0.868979 -1.761404
H -6.501568 0.855528 -0.301807


