%chk=000218458.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218458

0 1
O -4.256004 0.783178 -2.831810
O -2.342705 0.622828 -1.849655
N 2.178658 -1.328433 0.170533
N 1.692760 -2.615952 0.155642
N -1.304846 -0.540248 0.527422
N -2.321985 -1.216190 0.256198
N -3.557948 0.522019 -1.863180
C 1.152562 -0.386575 0.311445
C 1.320790 1.063724 0.367490
C -0.045813 -1.143895 0.367860
C 3.599381 -1.098903 0.023089
C 0.349080 -2.528173 0.258420
C 2.276755 1.646295 1.217635
C 0.488501 1.878085 -0.419521
C 4.502795 -1.931756 0.703347
C 4.049007 -0.061214 -0.810216
C 2.405705 3.035268 1.266388
C 0.628310 3.267453 -0.365063
C 5.872996 -1.704551 0.554413
C 5.422925 0.151022 -0.939954
C 1.585155 3.846412 0.473699
C 6.333888 -0.664939 -0.259831
C -3.621557 -0.621078 0.404028
C -4.254792 0.089844 -0.637098
C -4.357010 -0.948043 1.565572
C -5.623350 0.422032 -0.527348
C -5.696615 -0.593733 1.666072
C -6.336157 0.086611 0.614938
H -0.307108 -3.387357 0.259567
H 2.911037 1.016674 1.840787
H -0.274865 1.426552 -1.064308
H 4.137508 -2.751518 1.325358
H 3.340310 0.568780 -1.350309
H 3.144405 3.488234 1.925821
H -0.016494 3.897881 -0.977129
H 6.584290 -2.345395 1.076040
H 5.784471 0.955419 -1.581176
H 1.689751 4.929755 0.514284
H 7.404058 -0.493295 -0.369348
H -3.862527 -1.485221 2.376610
H -6.108911 0.949258 -1.357737
H -6.259987 -0.846175 2.567053
H -7.390224 0.349221 0.699868


%chk=000218458-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218458

0 1
O -5.561613 -2.597291 -2.219195
O -3.474180 -1.757849 -2.620626
N 2.177998 -1.097346 -0.133561
N 1.642895 -2.367760 -0.483264
N -1.291247 -0.202205 -0.071264
N -2.308203 -0.987484 -0.338345
N -4.572577 -1.806071 -1.943404
C 1.187452 -0.143396 0.067606
C 1.394114 1.228857 0.565897
C -0.043628 -0.820699 -0.187469
C 3.611238 -0.970645 -0.145499
C 0.307346 -2.178792 -0.511828
C 2.330159 1.503569 1.602628
C 0.610399 2.294691 0.044197
C 4.387728 -2.059973 0.315809
C 4.232035 0.191623 -0.662369
C 2.487541 2.816116 2.092041
C 0.776027 3.607336 0.534054
C 5.795170 -1.969171 0.284850
C 5.640536 0.272289 -0.681128
C 1.715709 3.874693 1.556636
C 6.427302 -0.802705 -0.205917
C -3.583728 -0.408488 -0.090161
C -4.727039 -0.895012 -0.791649
C -3.801795 0.527848 0.959935
C -6.035614 -0.500701 -0.442446
C -5.102572 0.947625 1.292793
C -6.225531 0.427665 0.600165
H -0.362545 -2.995535 -0.770219
H 2.921002 0.689599 2.035033
H -0.122052 2.085740 -0.740421
H 3.882890 -2.960622 0.674737
H 3.627243 1.014114 -1.053755
H 3.207752 3.012008 2.893713
H 0.171590 4.420339 0.117547
H 6.397150 -2.811519 0.641965
H 6.121489 1.170995 -1.081608
H 1.843162 4.894781 1.935415
H 7.520245 -0.736228 -0.227661
H -2.925737 0.892811 1.505381
H -6.876577 -0.918602 -1.002269
H -5.247951 1.672921 2.100611
H -7.237382 0.746376 0.868940


