%chk=000297317.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297317

0 1
O -4.531641 1.250968 -0.567588
N -2.633829 0.116331 -0.026113
C 1.058629 0.516234 0.505674
C 3.397793 -0.436990 0.027547
C 2.147909 -0.488443 0.929334
C 0.397031 0.096854 -0.822054
C -0.010162 0.642485 1.610843
C -1.757512 1.313321 -0.146037
C -0.693332 1.088168 -1.240451
C -1.106303 1.637383 1.214927
C 4.298743 -1.661226 0.296146
C 4.195062 0.864493 0.250634
C 5.553629 -1.626581 -0.587215
C 5.447922 0.903643 -0.634522
C 6.339432 -0.322351 -0.391308
C -4.009753 0.191621 -0.257895
C -4.753703 -1.120233 -0.091964
C -6.250591 -0.933477 -0.377117
C -7.023310 -2.237695 -0.215680
H 1.533568 1.518729 0.361749
H 3.070912 -0.471173 -1.041206
H 1.730271 -1.512865 0.926392
H 2.442890 -0.295960 1.978622
H 1.165814 0.031010 -1.616936
H -0.026034 -0.920305 -0.732395
H -0.454001 -0.346727 1.826126
H 0.461817 0.971611 2.555992
H -2.412032 2.180626 -0.449516
H -0.234922 2.065206 -1.489984
H -1.182507 0.740516 -2.170940
H -1.884812 1.673085 2.001537
H -0.682700 2.659761 1.165704
H 3.736738 -2.594396 0.110810
H 4.593100 -1.685423 1.362094
H 3.553510 1.739815 0.036698
H 4.485600 0.950849 1.314328
H 6.199441 -2.493791 -0.355806
H 5.266297 -1.733461 -1.650753
H 5.153522 0.946766 -1.700536
H 6.018704 1.829846 -0.437036
H 6.752126 -0.285797 0.635013
H 7.209032 -0.298931 -1.073404
H -2.178001 -0.749451 0.232546
H -4.334385 -1.887590 -0.773025
H -4.612900 -1.512334 0.935197
H -6.661284 -0.153425 0.297015
H -6.384549 -0.527716 -1.401278
H -8.090127 -2.087604 -0.422184
H -6.942763 -2.636440 0.801749
H -6.665440 -3.011838 -0.903634


%chk=000297317-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297317

0 1
O -4.517915 1.202241 0.723529
N -2.637544 0.215546 -0.216522
C 1.012551 0.617059 0.534439
C 3.346660 -0.506948 0.008704
C 2.092057 -0.427769 0.917157
C 0.414698 0.368801 -0.874749
C -0.122481 0.640202 1.592124
C -1.818260 1.449585 -0.161309
C -0.697048 1.390944 -1.224891
C -1.218814 1.674361 1.253475
C 4.276758 -1.654451 0.485132
C 4.133919 0.828946 -0.041349
C 5.558684 -1.772440 -0.372406
C 5.419049 0.717147 -0.897908
C 6.330615 -0.432278 -0.408243
C -3.943075 0.175365 0.240948
C -4.649888 -1.181580 0.132156
C -6.076075 -1.042134 -0.453171
C -6.868403 -2.364398 -0.396145
H 1.477779 1.627180 0.529086
H 3.025903 -0.751155 -1.028194
H 1.612373 -1.430731 0.945587
H 2.428238 -0.219022 1.956063
H 1.206148 0.420471 -1.646431
H 0.019422 -0.670690 -0.913832
H -0.576727 -0.371180 1.661228
H 0.303664 0.859933 2.590921
H -2.509537 2.284380 -0.381868
H -0.242405 2.399229 -1.290152
H -1.131512 1.170676 -2.219604
H -2.036388 1.647265 1.996136
H -0.786775 2.695594 1.284368
H 3.720693 -2.613767 0.473902
H 4.562307 -1.465752 1.542411
H 3.492844 1.640235 -0.438646
H 4.407656 1.118575 0.996074
H 6.207356 -2.579465 0.021100
H 5.281930 -2.060586 -1.408178
H 5.136133 0.529395 -1.955032
H 5.970087 1.677877 -0.881485
H 6.698093 -0.196574 0.612340
H 7.222613 -0.518654 -1.058932
H -2.216049 -0.636085 -0.590831
H -4.055101 -1.899719 -0.467245
H -4.727899 -1.601197 1.155752
H -6.599908 -0.251210 0.113845
H -6.009318 -0.686775 -1.500330
H -7.880677 -2.239661 -0.822121
H -6.983195 -2.712953 0.647833
H -6.360336 -3.166736 -0.964636


