%chk=000209226.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209226

0 1
O -0.060123 -1.371216 0.419839
N 0.237501 0.910694 0.736572
N 3.209119 0.383981 -0.943272
N -1.895540 -0.039840 0.007234
C 2.561842 1.315319 0.029822
C 1.638112 2.320464 -0.701690
C 1.663765 0.630422 1.096692
C 0.216274 2.122793 -0.146770
C -0.526073 -0.242549 0.365320
C 4.378719 -0.273180 -0.392898
C 2.263927 -0.530638 -1.642865
C 5.530921 0.522560 -0.219031
C 4.427955 -1.645716 -0.091651
C -2.684454 -1.163157 -0.461696
C -2.607180 1.186787 0.308851
C 6.709881 -0.057607 0.246243
C 5.619646 -2.212421 0.367887
C 6.760641 -1.425103 0.541401
C -4.023755 -1.293331 -0.051065
C -3.374861 1.787568 -0.705640
C -2.116929 -2.094179 -1.350149
C -2.537594 1.759123 1.589993
C -4.791614 -2.347542 -0.549169
C -4.066134 2.967802 -0.428403
C -2.900464 -3.144567 -1.830426
C -3.231664 2.943707 1.845617
C -4.237462 -3.272315 -1.439545
C -3.995005 3.549177 0.842389
H 3.382628 1.876142 0.546328
H 1.671878 2.170608 -1.797204
H 1.989129 3.352880 -0.535270
H 1.864931 -0.459916 1.189240
H 1.833508 1.074457 2.100591
H -0.093442 2.980838 0.490582
H -0.528543 2.036025 -0.962186
H 2.819082 -1.115150 -2.394793
H 1.515856 0.071867 -2.182074
H 1.721946 -1.231490 -0.980714
H 5.502363 1.580774 -0.471204
H 3.546182 -2.273175 -0.207207
H 7.599513 0.557517 0.375547
H 5.654040 -3.277107 0.596931
H 7.683851 -1.871326 0.901796
H -4.461493 -0.587182 0.652767
H -3.434751 1.329821 -1.692490
H -1.068631 -2.015744 -1.638171
H -1.940080 1.288325 2.371780
H -5.829641 -2.450593 -0.234278
H -4.664415 3.437888 -1.208685
H -2.462407 -3.871011 -2.514550
H -3.180379 3.393597 2.837088
H -4.841319 -4.092185 -1.821168
H -4.536160 4.470109 1.050552


%chk=000209226-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000209226

0 1
O -0.524480 -1.395431 1.260682
N 0.154838 0.748929 0.639619
N 3.100488 0.010332 -0.516189
N -2.052405 0.012396 0.106188
C 2.502862 1.111244 0.270047
C 1.692423 2.139219 -0.594251
C 1.457254 0.631846 1.325150
C 0.176093 1.863730 -0.341575
C -0.777110 -0.278005 0.715345
C 4.446586 -0.379278 -0.311790
C 2.168251 -0.925421 -1.163411
C 5.455318 0.573794 0.037518
C 4.855653 -1.736127 -0.494888
C -2.802768 -1.083185 -0.460389
C -2.697073 1.281940 0.331822
C 6.796915 0.179803 0.206770
C 6.205740 -2.114201 -0.335414
C 7.190999 -1.166913 0.021519
C -4.203978 -1.182632 -0.266287
C -3.442808 1.899067 -0.706680
C -2.136122 -2.071351 -1.229944
C -2.595198 1.926105 1.591973
C -4.925382 -2.248023 -0.846753
C -4.074103 3.140936 -0.484873
C -2.861688 -3.140281 -1.793370
C -3.214513 3.177757 1.800574
C -4.261848 -3.233563 -1.612630
C -3.959496 3.791621 0.767047
H 3.325095 1.620986 0.791842
H 1.963511 2.030495 -1.657286
H 1.947928 3.169214 -0.290929
H 1.611869 -0.404384 1.662742
H 1.485231 1.299168 2.211065
H -0.333327 2.759141 0.061962
H -0.360635 1.562525 -1.257673
H 2.674699 -1.441625 -1.996763
H 1.320719 -0.360178 -1.588432
H 1.751060 -1.689356 -0.471956
H 5.203919 1.635071 0.137799
H 4.115952 -2.505875 -0.733616
H 7.544718 0.938081 0.467769
H 6.483250 -3.165386 -0.477846
H 8.236294 -1.466432 0.149104
H -4.724479 -0.435607 0.340924
H -3.526317 1.400898 -1.678330
H -1.052123 -2.011115 -1.369172
H -2.040864 1.441305 2.402366
H -6.007473 -2.313137 -0.686488
H -4.648346 3.605296 -1.294412
H -2.332514 -3.900085 -2.379342
H -3.129004 3.664372 2.778686
H -4.823673 -4.062640 -2.055914
H -4.446839 4.757967 0.934891


