%chk=000269842.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269842

0 1
O 2.448799 -0.024587 1.435860
O 1.449933 2.920217 0.270211
O 3.089048 1.017706 -1.914964
O 4.343863 -1.293259 -1.387031
N 0.186577 -0.249411 0.893940
N -0.865046 -2.286345 0.804185
N -3.070614 -1.463218 -0.016951
N -3.209269 0.959233 -0.282141
N -1.411355 2.440073 0.024620
C 1.591975 1.564255 -0.163314
C 1.271256 0.730866 1.107278
C 3.067106 1.233991 -0.511479
C 3.403149 -0.017677 0.337957
C 3.266143 -1.342278 -0.426047
C -1.126702 0.004067 0.445666
C 0.278624 -1.641471 1.105526
C -1.772363 -1.299258 0.386392
C -1.910093 1.139463 0.092511
C -3.732871 -0.324794 -0.341086
C -5.151185 -0.436293 -0.788770
H 0.920125 1.366613 -1.032615
H 1.066454 1.359279 2.012302
H 3.745511 2.086539 -0.283972
H 4.387237 0.052840 0.852518
H 2.300233 -1.424566 -0.959193
H 3.409408 -2.211068 0.241318
H 1.537675 3.528938 -0.502547
H 3.816952 0.376682 -2.168409
H 1.181913 -2.105983 1.489428
H 4.317689 -2.091972 -1.957487
H -2.091802 3.179590 -0.123845
H -0.630850 2.701345 0.617635
H -5.269006 -0.063718 -1.818740
H -5.506062 -1.480077 -0.762603
H -5.817050 0.166076 -0.150854


%chk=000269842-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269842

0 1
O 2.299850 -0.151225 1.416413
O 1.210892 2.714498 -0.407243
O 3.929681 1.457239 -1.510928
O 4.747437 -1.078919 -1.248657
N 0.058025 -0.322199 0.592732
N -1.048267 -2.334650 0.477427
N -3.303562 -1.432335 0.015318
N -3.420291 1.008472 -0.101673
N -1.585715 2.449745 0.101925
C 1.720176 1.341872 -0.399179
C 1.169031 0.615592 0.856721
C 3.260024 1.290319 -0.234457
C 3.475475 -0.052218 0.508306
C 3.536746 -1.282204 -0.421870
C -1.293599 -0.018352 0.306241
C 0.125607 -1.722729 0.690625
C -1.961505 -1.286618 0.241571
C -2.074280 1.161983 0.100080
C -3.973428 -0.253657 -0.129597
C -5.465643 -0.317925 -0.351180
H 1.424108 0.814771 -1.327211
H 0.845877 1.354499 1.612347
H 3.558101 2.123646 0.431321
H 4.366847 -0.040630 1.155005
H 2.635119 -1.351245 -1.063090
H 3.624586 -2.201424 0.186869
H 1.612342 3.202388 -1.169287
H 4.433580 0.615152 -1.723073
H 1.047275 -2.223366 0.968849
H 4.957243 -1.884436 -1.780085
H -2.282741 3.179806 -0.044334
H -0.585098 2.669677 -0.003174
H -5.735369 0.157268 -1.311518
H -5.796005 -1.367098 -0.353277
H -5.997118 0.236099 0.443383


