%chk=000221491.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221491

0 1
O 2.729111 2.233173 -0.727231
O -0.668829 4.002227 -0.423427
O -1.710808 -2.962523 1.649521
O -0.389329 -1.291232 1.328668
N 2.153849 0.261522 0.326656
N -0.479331 1.343034 -0.077374
N -1.393937 1.079576 0.720878
N -1.484647 -1.834259 1.249121
C 0.619355 2.181709 0.467536
C -2.504342 0.272659 0.287195
C 1.937853 1.580880 -0.075013
C -4.869980 -1.166217 -0.239778
C -2.595965 -1.091353 0.626725
C -3.786773 -1.800686 0.366901
C 0.392864 3.658051 0.027198
C 3.287097 -0.547557 -0.030167
C -3.598418 0.908961 -0.336191
C -4.762053 0.197164 -0.593732
C -6.132467 -1.908186 -0.522359
C 3.255105 -1.897012 0.381994
C 4.389859 -0.041201 -0.734848
C 1.538231 4.573720 0.277097
C 4.336958 -2.724562 0.086707
C 5.462098 -0.890475 -1.020470
C 5.442977 -2.226866 -0.613073
H 0.673095 2.196595 1.594815
H -3.843427 -2.859212 0.649351
H 1.401439 -0.241329 0.824433
H -3.517023 1.964685 -0.614094
H -5.604840 0.695685 -1.078942
H -6.101540 -2.952831 -0.181765
H -6.995731 -1.438861 -0.026387
H -6.351249 -1.932617 -1.601023
H 2.396339 -2.293943 0.923169
H 4.412272 1.001973 -1.063692
H 1.933376 4.515028 1.298134
H 2.387913 4.326019 -0.397627
H 1.266993 5.621582 0.077325
H 4.318593 -3.767375 0.403137
H 6.320082 -0.500599 -1.568360
H 6.282529 -2.879645 -0.839507


%chk=000221491-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221491

0 1
O 2.789726 2.420502 -0.761493
O -0.741948 4.275024 -0.275828
O -1.711255 -3.037161 2.062868
O -0.167202 -1.567142 1.259939
N 2.035329 0.406193 0.189106
N -0.540061 1.606034 -0.180477
N -1.077583 0.809510 0.687353
N -1.391756 -1.991109 1.378521
C 0.591372 2.372031 0.418237
C -2.227906 0.088561 0.253770
C 1.928083 1.746879 -0.126616
C -4.713978 -1.251574 -0.254007
C -2.456323 -1.243802 0.696811
C -3.682754 -1.901765 0.458234
C 0.382547 3.877804 0.123786
C 3.114567 -0.483390 -0.110387
C -3.264333 0.738121 -0.466991
C -4.476409 0.074211 -0.720136
C -6.034174 -1.943132 -0.530771
C 2.992044 -1.820656 0.357474
C 4.270716 -0.086529 -0.834129
C 1.527763 4.815503 0.426954
C 4.018374 -2.751103 0.102209
C 5.287842 -1.034425 -1.079918
C 5.173737 -2.365092 -0.617613
H 0.601156 2.247276 1.525796
H -3.803442 -2.926385 0.821359
H 1.237064 -0.029487 0.672842
H -3.091715 1.766771 -0.800152
H -5.260330 0.589156 -1.287718
H -6.059056 -2.959745 -0.105454
H -6.878844 -1.374664 -0.099313
H -6.220500 -2.025063 -1.617765
H 2.098334 -2.126279 0.913136
H 4.360093 0.940357 -1.191481
H 1.942100 4.625080 1.435333
H 2.348742 4.620000 -0.287239
H 1.184497 5.858461 0.350939
H 3.914218 -3.778727 0.467244
H 6.177670 -0.724412 -1.639252
H 5.970894 -3.090128 -0.813671


