%chk=000203158.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203158

0 1
O 2.078183 -0.626361 -2.516154
O -4.268719 0.030198 -0.306172
O -1.642936 -0.155661 2.889446
O -4.086471 0.458376 1.903160
N 4.790178 -0.462347 -0.207329
N 2.007338 -0.717146 -0.205806
C 6.907917 0.924945 1.268464
C 5.623492 1.636798 0.827399
C 6.644346 -0.575788 1.439926
C 5.046366 0.998790 -0.445986
C 6.053559 -1.186752 0.158464
C 4.155936 -1.083304 -1.409256
C 2.658060 -0.769954 -1.459643
C 0.624914 -0.490361 0.019277
C 0.195725 -0.424144 1.359354
C -0.303310 -0.346766 -1.035080
C -5.971384 1.766285 -0.309761
C -2.114731 -0.061309 0.578865
C -1.167358 -0.213815 1.616023
C -7.466029 2.056394 -0.487881
C -5.706109 0.265341 -0.235013
C -1.643901 -0.138949 -0.748766
C -3.534305 0.176575 0.865946
C -7.740845 3.556787 -0.554184
H 7.710707 1.089786 0.524814
H 7.276882 1.357722 2.217162
H 5.817587 2.710523 0.647189
H 4.871599 1.589615 1.640272
H 5.944340 -0.737093 2.284063
H 7.578195 -1.105252 1.704821
H 4.076030 1.479941 -0.699467
H 5.729944 1.178575 -1.303788
H 6.810135 -1.163958 -0.655298
H 5.797782 -2.253411 0.339568
H 4.603762 -0.766102 -2.380249
H 4.264666 -2.192957 -1.373310
H 2.608996 -0.781427 0.632694
H 0.894783 -0.533198 2.179760
H 0.035580 -0.398080 -2.075816
H -5.591279 2.253866 0.612595
H -5.387669 2.208535 -1.140626
H -7.840236 1.567608 -1.408941
H -8.037960 1.610154 0.350301
H -6.057860 -0.286508 -1.124403
H -6.100626 -0.190166 0.690466
H -2.368044 -0.029220 -1.566084
H -7.217655 4.027094 -1.394619
H -8.810680 3.758670 -0.677521
H -7.413959 4.066517 0.360097
H -0.928635 -0.265266 3.570628


%chk=000203158-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203158

0 1
O 2.194944 -1.008689 -2.874977
O -4.209967 0.037606 -0.344664
O -1.278010 0.291053 2.789367
O -3.888167 0.515875 1.917566
N 4.789495 -0.492668 -0.307347
N 2.142121 -0.636396 -0.534080
C 6.602928 0.830230 1.600402
C 5.405913 1.572831 0.964513
C 6.321670 -0.689049 1.655157
C 5.059594 0.972992 -0.412257
C 5.954902 -1.231053 0.259229
C 4.290849 -1.055451 -1.585680
C 2.761188 -0.885131 -1.750727
C 0.773583 -0.444332 -0.248668
C 0.412525 -0.176557 1.095650
C -0.240081 -0.506681 -1.245519
C -6.000067 1.774684 -0.336879
C -1.968580 -0.018583 0.471236
C -0.936857 0.033234 1.459408
C -7.520726 2.037733 -0.231059
C -5.664406 0.287735 -0.153776
C -1.574272 -0.294019 -0.868350
C -3.399648 0.212100 0.803282
C -7.873084 3.528633 -0.421441
H 7.513045 1.013365 0.992764
H 6.808165 1.222227 2.613921
H 5.629972 2.649712 0.846102
H 4.521915 1.490763 1.627711
H 5.480668 -0.886148 2.348741
H 7.203478 -1.236772 2.038110
H 4.161521 1.462149 -0.833200
H 5.903026 1.160351 -1.122566
H 6.844257 -1.143860 -0.413579
H 5.687604 -2.302204 0.321237
H 4.770948 -0.612746 -2.485231
H 4.498055 -2.142310 -1.613535
H 2.853925 -0.565142 0.221645
H 1.192710 -0.132198 1.868695
H 0.034676 -0.714590 -2.280573
H -5.466805 2.361943 0.434304
H -5.629981 2.112356 -1.324981
H -8.056638 1.430923 -0.989662
H -7.884936 1.696361 0.759171
H -6.145013 -0.335334 -0.927304
H -5.958106 -0.060939 0.853277
H -2.362190 -0.337493 -1.623769
H -7.549084 3.889604 -1.415780
H -8.962043 3.699392 -0.337328
H -7.371889 4.152685 0.341844
H -0.466825 0.285603 3.359201


