%chk=000196016.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196016

0 1
O 0.726307 0.594222 0.478316
O -0.131685 -0.995639 1.837165
O 3.452735 -2.105147 -0.942094
O 1.464363 -0.457513 -1.952379
O 2.690781 -2.139969 1.933018
O 0.806652 3.377013 -0.266687
O -2.796899 -2.102141 -0.709744
O -2.005404 2.248775 0.602158
N -2.480968 -0.010696 0.265092
C 3.013679 -1.034020 -0.109290
C 2.464493 0.045166 -1.076486
C 1.931981 -1.542456 0.872901
C 1.850352 1.181678 -0.221625
C 1.095756 -0.387246 1.479078
C 1.225575 2.290242 -1.082987
C -1.146140 -0.104031 2.381942
C -2.455837 -0.467662 1.672739
C -2.417694 -0.116050 -2.113822
C -2.138853 1.325182 -1.671240
C -2.586192 -0.924085 -0.837643
C -2.181016 1.319605 -0.150984
H 3.888676 -0.647350 0.467920
H 3.261084 0.385854 -1.776930
H 1.273374 -2.305966 0.397391
H 2.562702 1.607625 0.516758
H 1.574677 0.127505 2.333123
H 0.368731 1.900854 -1.677314
H 1.975432 2.741971 -1.761479
H -1.191955 -0.340839 3.459955
H -0.867598 0.956909 2.231076
H -2.597433 -1.579065 1.678862
H -3.314562 -0.009639 2.217048
H 3.847164 -2.816458 -0.382483
H 0.697373 -0.797699 -1.427070
H 2.102791 -2.692467 2.497730
H -1.596067 -0.534343 -2.730259
H -3.326845 -0.196836 -2.742078
H -2.869484 2.047839 -2.081307
H -1.134973 1.679851 -2.012911
H 0.031627 3.102925 0.295940


%chk=000196016-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196016

0 1
O 0.702131 0.468633 0.152597
O -0.211733 -1.116719 1.644846
O 4.053067 -1.935915 -0.572195
O 2.176696 -0.336879 -2.165421
O 2.416048 -2.504324 1.699972
O 0.766916 3.388644 -0.332609
O -3.395168 -2.070913 -0.361050
O -1.792676 2.245305 0.500428
N -2.599860 0.033393 0.370868
C 3.202345 -0.940943 0.060633
C 2.847408 0.168324 -0.963457
C 1.934660 -1.592474 0.656705
C 1.942072 1.204502 -0.249996
C 1.010820 -0.504781 1.225445
C 1.490653 2.392228 -1.107832
C -1.117421 -0.201359 2.381255
C -2.534898 -0.311227 1.799392
C -2.891808 -0.232546 -1.984953
C -2.342423 1.183748 -1.696787
C -3.006908 -0.910066 -0.617216
C -2.200415 1.262710 -0.176215
H 3.743156 -0.455731 0.907870
H 3.779194 0.626661 -1.335815
H 1.381122 -2.152095 -0.126234
H 2.435773 1.598941 0.664215
H 1.506087 0.041818 2.063190
H 0.908346 2.019655 -1.976805
H 2.384305 2.909585 -1.498723
H -1.140551 -0.514370 3.442273
H -0.752288 0.836404 2.300754
H -2.911223 -1.346031 1.879875
H -3.201862 0.358247 2.374708
H 4.170711 -2.675204 0.080487
H 1.266415 -0.626159 -1.890006
H 1.643215 -3.007924 2.060570
H -2.229921 -0.836207 -2.628704
H -3.885395 -0.225212 -2.464996
H -3.009390 1.991526 -2.042455
H -1.353543 1.363230 -2.151586
H -0.116958 3.029425 -0.031628


