%chk=000179092.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179092

0 1
O 0.537975 -1.271605 1.447206
O -1.748732 3.272324 -0.015421
O -4.036557 2.835709 0.422630
O 3.361816 -0.934115 -0.458809
O 4.483899 1.593019 -1.115348
O 1.444112 -3.339247 1.701307
N -1.196107 -2.913507 -0.261981
C -0.664844 -1.569089 -0.671592
C -1.621313 -0.443093 -0.319644
C 0.717311 -1.327746 -0.005070
C -2.969719 -0.686149 -0.047468
C -1.079214 0.884174 -0.317176
C -2.605583 -3.080619 -0.743037
C -3.497077 -2.090314 0.018522
C 1.249395 0.028713 -0.386647
C 0.356391 1.116801 -0.535640
C -1.984849 1.899018 -0.064778
C -3.881390 0.371920 0.217871
C -0.336504 -4.016774 -0.784867
C -3.361294 1.641582 0.197609
C 2.624977 0.218581 -0.588150
C 0.853183 2.376864 -0.878898
C 3.112642 1.512489 -0.934108
C 2.225737 2.576936 -1.074752
C -3.032501 3.894982 0.312481
C 0.881907 -2.381489 2.182793
C 0.478853 -2.152578 3.599318
C 4.808483 -0.838952 -0.494484
C 5.043380 2.904096 -1.371843
H -0.498279 -1.514646 -1.788154
H 1.441735 -2.148021 -0.242043
H -2.930147 -4.120421 -0.520914
H -2.715820 -2.934640 -1.838990
H -3.545907 -2.389872 1.091075
H -4.533270 -2.148797 -0.367696
H -4.928388 0.180678 0.430201
H 0.642358 -3.977659 -0.260187
H -0.161666 -4.003557 -1.868616
H -0.781430 -4.986406 -0.511393
H 0.170757 3.223304 -0.993783
H 2.580907 3.570080 -1.338755
H -3.316361 4.542415 -0.527116
H -2.935547 4.371989 1.296673
H -0.399370 -2.770079 3.847077
H 0.203448 -1.102218 3.787666
H 1.288524 -2.430167 4.288986
H 5.100819 -1.876733 -0.293812
H 5.163176 -0.160262 0.287180
H 5.134762 -0.506997 -1.486211
H 6.115339 2.677955 -1.436249
H 4.834301 3.579544 -0.537304
H 4.668681 3.297982 -2.320959


%chk=000179092-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179092

0 1
O 0.572773 -1.268984 1.455560
O -1.800176 3.346604 -0.081070
O -4.090043 2.885756 0.414617
O 3.449704 -0.908355 -0.651500
O 4.507178 1.588251 -1.364964
O 1.633471 -3.349120 1.653107
N -1.175177 -2.910627 -0.364069
C -0.653004 -1.559542 -0.683139
C -1.625479 -0.429822 -0.324712
C 0.726568 -1.293589 -0.043248
C -2.981389 -0.689265 -0.017839
C -1.098653 0.911790 -0.350551
C -2.589466 -3.054664 -0.789622
C -3.485514 -2.121742 0.034619
C 1.249357 0.059187 -0.469594
C 0.338054 1.148864 -0.616949
C -2.023629 1.934705 -0.081334
C -3.885026 0.378275 0.257299
C -0.329725 -3.992159 -0.923493
C -3.374274 1.671619 0.217346
C 2.630904 0.231974 -0.710431
C 0.852980 2.415257 -0.988421
C 3.129613 1.512073 -1.103533
C 2.230433 2.595502 -1.226999
C -3.038846 3.924570 0.500088
C 1.008545 -2.390402 2.163874
C 0.615285 -2.265600 3.620928
C 4.600878 -0.878388 0.275802
C 5.029456 2.865690 -1.858547
H -0.457418 -1.480751 -1.792659
H 1.454607 -2.081166 -0.288778
H -2.888784 -4.106136 -0.628569
H -2.715498 -2.834801 -1.881671
H -3.490102 -2.475572 1.084332
H -4.527682 -2.174630 -0.334616
H -4.936189 0.186227 0.489082
H 0.658532 -4.002597 -0.437360
H -0.192423 -3.904361 -2.030679
H -0.809156 -4.963393 -0.710623
H 0.176605 3.265599 -1.095018
H 2.592845 3.584012 -1.524161
H -3.341695 4.796118 -0.099095
H -2.854769 4.170613 1.564422
H -0.452527 -2.529249 3.727771
H 0.738904 -1.228449 3.971546
H 1.216160 -2.956367 4.230787
H 5.041842 -1.884119 0.209912
H 4.255208 -0.689520 1.310085
H 5.329474 -0.110146 -0.031798
H 6.100711 2.688141 -2.033234
H 4.901207 3.670995 -1.109509
H 4.538348 3.157097 -2.806693


