%chk=000205870.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205870

0 1
O -2.722499 -1.857673 0.074560
O 2.723154 1.858547 -0.070598
N -1.210403 -0.358962 -0.716633
N 1.211025 0.359713 0.720235
C -0.702365 1.036108 -0.746213
C -0.125297 -1.359379 -0.513814
C 0.125895 1.360117 0.517499
C 0.702960 -1.035344 0.749887
C -2.505391 -0.702035 -0.253803
C 2.505990 0.702812 0.257395
C -3.569874 0.372414 -0.305914
C 3.570419 -0.371705 0.309191
C -4.946262 -0.211429 0.040748
C 4.946209 0.211343 -0.041159
C -6.037299 0.865330 0.009847
C 6.037387 -0.865240 -0.009157
C -7.405272 0.280836 0.353633
C 7.404586 -0.281748 -0.357695
H -0.063863 1.146625 -1.655479
H -1.530051 1.763660 -0.862641
H -0.576054 -2.378296 -0.425590
H 0.515885 -1.360655 -1.421358
H -0.515283 1.361343 1.425044
H 0.576626 2.379047 0.429333
H 1.530631 -1.762897 0.866390
H 0.064448 -1.145807 1.659157
H -3.600271 0.829684 -1.317087
H -3.319125 1.190217 0.399738
H 3.318287 -1.190821 -0.394424
H 3.602651 -0.827068 1.321181
H -4.906602 -0.695965 1.037699
H -5.191441 -1.032193 -0.663895
H 5.192410 1.033963 0.660981
H 4.904960 0.693285 -1.039285
H -6.075614 1.338589 -0.990953
H -5.790201 1.677664 0.721044
H 6.077849 -1.335293 0.993070
H 5.788857 -1.679864 -0.717225
H -8.183451 1.051883 0.331227
H -7.699450 -0.503094 -0.354295
H -7.414261 -0.165947 1.354838
H 8.182992 -1.052521 -0.333754
H 7.411631 0.161200 -1.360614
H 7.699877 0.504957 0.346687


%chk=000205870-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205870

0 1
O -2.937116 -1.973993 0.120407
O 2.937302 1.974200 -0.119372
N -1.330246 -0.370452 -0.367396
N 1.330400 0.370638 0.368258
C -0.855600 1.003708 -0.629989
C -0.259810 -1.388684 -0.369610
C 0.259968 1.388874 0.370461
C 0.855753 -1.003522 0.630849
C -2.650180 -0.758555 -0.121064
C 2.650346 0.758745 0.121991
C -3.727767 0.336859 -0.159011
C 3.727953 -0.336642 0.160119
C -5.146056 -0.229807 0.052016
C 5.146256 0.230054 -0.050735
C -6.228493 0.871727 0.020067
C 6.228743 -0.871417 -0.018345
C -7.651382 0.308745 0.226803
C 7.651639 -0.308410 -0.224962
H -0.449745 1.063825 -1.660762
H -1.686842 1.719268 -0.546346
H -0.720100 -2.352893 -0.097804
H 0.171158 -1.467676 -1.388792
H -0.170996 1.467883 1.389644
H 0.720265 2.353078 0.098643
H 1.686996 -1.719080 0.547208
H 0.449891 -1.063645 1.661620
H -3.680745 0.870984 -1.130340
H -3.512714 1.095475 0.622262
H 3.513026 -1.095295 -0.621152
H 3.680812 -0.870731 1.131463
H -5.182602 -0.770776 1.016027
H -5.354925 -0.988723 -0.725433
H 5.354925 0.989136 0.726606
H 5.182973 0.770833 -1.014846
H -6.182477 1.409728 -0.949633
H -6.012868 1.626334 0.804920
H 6.182583 -1.409194 0.951472
H 6.013299 -1.626221 -0.803060
H -8.412521 1.110118 0.203379
H -7.905072 -0.423482 -0.562638
H -7.733739 -0.209178 1.200796
H 8.412815 -1.109739 -0.201227
H 7.734136 0.209299 -1.199056
H 7.905157 0.424007 0.564359


