%chk=000203485.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203485

0 1
N -1.471027 -0.361607 0.022611
N 1.346496 0.226301 0.038441
N -3.221808 -2.532609 -0.142071
N -2.767945 2.383275 -0.004129
N -5.727073 0.171200 0.028603
C -0.775027 0.079157 -1.230205
C -0.811765 0.207304 1.244160
C 0.696621 -0.374757 -1.174250
C 0.660842 -0.250118 1.281764
C -2.898502 -0.090755 -0.018457
C 2.786322 0.091553 0.031133
C -3.741677 -1.236482 -0.013541
C -3.513238 1.185811 -0.043790
C 3.490506 0.847478 -0.932664
C 3.506163 -0.672455 0.964670
C 4.881063 0.833859 -0.951911
C 4.903873 -0.671799 0.942082
C 5.603960 0.074688 -0.013490
C -5.153842 -1.047119 0.026920
C -4.934885 1.261160 -0.015815
C 7.097936 0.077327 -0.045109
H -0.819486 1.179267 -1.389151
H -1.284438 -0.403167 -2.093437
H -1.349897 -0.179896 2.136020
H -0.857402 1.316687 1.298123
H 0.751143 -1.485935 -1.169209
H 1.227032 -0.025112 -2.085320
H 1.161367 0.212112 2.161046
H 0.710508 -1.353962 1.404540
H 2.940881 1.456833 -1.648278
H 2.993595 -1.273883 1.710812
H 5.415540 1.421601 -1.696679
H 5.447971 -1.263968 1.676174
H -5.831952 -1.903721 0.043879
H -5.443794 2.228050 -0.014744
H -2.223307 -2.632881 0.013663
H -3.767017 -3.284561 0.250412
H -3.256348 3.218629 -0.296387
H -1.823859 2.340794 -0.374271
H 7.478257 -0.242678 -1.025326
H 7.496415 1.083818 0.147541
H 7.539098 -0.591739 0.704541


%chk=000203485-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000203485

0 1
N -1.506892 -0.124887 -0.011691
N 1.363352 0.059267 0.003274
N -3.018777 -2.443566 -0.066628
N -3.014695 2.447286 0.043898
N -5.802712 0.009772 -0.015029
C -0.785279 0.301333 -1.233938
C -0.788231 0.253035 1.226847
C 0.630039 -0.303114 -1.233346
C 0.637325 -0.334698 1.225888
C -2.952736 -0.018549 -0.010631
C 2.787350 0.011456 0.000440
C -3.700958 -1.237190 -0.039532
C -3.668472 1.215236 0.016171
C 3.529086 0.523375 -1.107031
C 3.530621 -0.502054 1.102276
C 4.935519 0.516929 -1.104087
C 4.943368 -0.488527 1.094186
C 5.680327 0.014656 -0.003321
C -5.127673 -1.167970 -0.040304
C -5.097901 1.169026 0.012497
C 7.199469 0.026686 -0.009672
H -0.693133 1.412226 -1.313839
H -1.344459 -0.056324 -2.115954
H -1.348818 -0.137687 2.093848
H -0.700826 1.360607 1.350367
H 0.542634 -1.412604 -1.317085
H 1.180362 0.057593 -2.116043
H 1.172249 0.059397 2.107178
H 0.574454 -1.445597 1.323405
H 3.005026 0.957438 -1.965251
H 3.017946 -0.935986 1.965817
H 5.468993 0.925198 -1.972263
H 5.480577 -0.894035 1.960877
H -5.730606 -2.084031 -0.062142
H -5.679232 2.100176 0.032492
H -1.999624 -2.400916 -0.065326
H -3.510616 -3.330792 -0.087525
H -3.556264 3.306546 0.062753
H -2.002456 2.513787 0.056564
H 7.607205 -0.515160 -0.884128
H 7.597109 1.058965 -0.053984
H 7.608650 -0.448603 0.898873


