%chk=000239111.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239111

0 1
O -5.590568 -0.271363 -1.629662
N 3.727929 4.421544 -0.405523
N 2.266620 -5.125871 -0.531732
N -5.178401 1.069688 0.203494
C 0.382798 0.025173 1.275653
C 1.257920 1.164782 0.789537
C 0.863623 -1.317586 0.759970
C -1.081162 0.267804 0.955671
C 2.468159 1.427538 1.450665
C 0.582071 -2.475581 1.502200
C 0.904523 1.962321 -0.306904
C 1.575337 -1.445941 -0.440020
C -1.805063 1.176373 1.746244
C -1.731292 -0.377243 -0.105134
C 2.945252 3.271638 -0.067086
C 1.717850 -3.860757 -0.147868
C 3.303831 2.459984 1.034128
C 0.996287 -3.729273 1.061344
C 1.730579 2.999946 -0.735138
C 1.997131 -2.694198 -0.894116
C -3.150202 1.432415 1.490666
C -3.078279 -0.134762 -0.376652
C -3.793223 0.771645 0.422172
C 5.171784 4.354874 -0.041072
C 3.548448 4.949320 -1.787666
C 1.546198 -6.327821 -0.023454
C 2.609075 -5.277342 -1.974332
C -5.996877 0.528832 -0.811768
C -7.412788 1.039292 -0.779816
H 0.471685 -0.003368 2.400171
H 2.766563 0.810959 2.298877
H 0.023901 -2.398304 2.435356
H -0.030873 1.773715 -0.837266
H 1.806912 -0.558216 -1.031694
H -1.308856 1.696226 2.566164
H -1.183164 -1.084769 -0.731515
H 4.229730 2.642239 1.574695
H 0.768619 -4.604555 1.665208
H 1.417717 3.605261 -1.582455
H 2.556342 -2.753903 -1.824667
H -3.689572 2.139585 2.114706
H -3.570496 -0.650615 -1.208232
H -5.589273 1.740342 0.854767
H 5.728199 3.563203 -0.565928
H 5.649271 5.323663 -0.259515
H 5.268490 4.188928 1.046485
H 4.127487 5.879951 -1.901814
H 3.855116 4.246833 -2.577744
H 2.487348 5.212558 -1.944022
H 1.514239 -6.297110 1.079976
H 2.106612 -7.235001 -0.301263
H 0.516148 -6.422810 -0.400324
H 1.741481 -5.210544 -2.648753
H 3.102399 -6.249849 -2.133012
H 3.337877 -4.498897 -2.261356
H -7.929813 0.789592 0.155535
H -7.991152 0.575457 -1.597274
H -7.472701 2.125399 -0.925808


%chk=000239111-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239111

0 1
O -5.839027 -0.208288 -1.613571
N 3.883893 4.283525 -0.622671
N 2.042380 -5.293747 -0.667834
N -5.235358 1.142391 0.212532
C 0.389640 -0.019168 1.188652
C 1.277194 1.139926 0.705552
C 0.866581 -1.392996 0.686814
C -1.102367 0.236138 0.902558
C 2.483704 1.438631 1.386963
C 0.534682 -2.562071 1.417778
C 0.969425 1.919666 -0.435689
C 1.605763 -1.565158 -0.507840
C -1.807979 1.183912 1.689221
C -1.810332 -0.414430 -0.135918
C 3.034931 3.253895 -0.191284
C 1.658017 -4.019694 -0.225082
C 3.346874 2.465923 0.962414
C 0.914646 -3.846056 0.986173
C 1.819190 2.951655 -0.881519
C 1.996019 -2.841282 -0.961494
C -3.163760 1.467271 1.448150
C -3.171526 -0.142688 -0.398341
C -3.860064 0.807021 0.398890
C 5.116332 4.575801 0.115105
C 3.528219 5.079678 -1.800945
C 1.678274 -6.481326 0.110872
C 2.785859 -5.438518 -1.922986
C -6.136156 0.654147 -0.734062
C -7.543161 1.246001 -0.635629
H 0.488539 -0.042382 2.295337
H 2.759264 0.848516 2.270989
H -0.044597 -2.465650 2.345670
H 0.039140 1.728285 -0.983293
H 1.895532 -0.683216 -1.090157
H -1.282471 1.711409 2.494803
H -1.293033 -1.160746 -0.748546
H 4.262502 2.653919 1.530919
H 0.633136 -4.712973 1.590895
H 1.528625 3.523798 -1.767653
H 2.569944 -2.916707 -1.889616
H -3.687127 2.202513 2.074580
H -3.705462 -0.652216 -1.202273
H -5.602592 1.837394 0.866096
H 5.803981 3.704756 0.135318
H 5.645475 5.411148 -0.370789
H 4.911953 4.868888 1.166240
H 4.308873 5.835537 -1.982974
H 3.442523 4.453731 -2.713494
H 2.563788 5.612668 -1.666048
H 2.104586 -6.450937 1.135218
H 2.068550 -7.382046 -0.389470
H 0.578033 -6.595268 0.206326
H 2.216955 -5.041541 -2.789619
H 2.985712 -6.505668 -2.110626
H 3.761860 -4.910797 -1.890046
H -8.265581 0.425936 -0.481941
H -7.796205 1.728213 -1.595652
H -7.666003 1.984677 0.176096


