%chk=000217674.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217674

0 1
O -1.807845 -1.346405 -0.411761
N 1.911980 0.998816 1.361906
N 4.480089 1.229942 0.010233
N 0.019476 2.230676 0.581854
N 0.084241 -0.213101 0.396705
C 2.790055 -0.189478 1.149563
C 2.710646 2.259738 1.415996
C 3.664478 -0.024794 -0.109843
C 3.585178 2.426496 0.157500
C 0.661011 1.034833 0.733258
C 5.364064 1.388649 -1.182581
C -1.288219 2.218833 0.132334
C -1.961915 1.002875 -0.203717
C -1.177306 -0.191449 -0.043004
C -1.990582 3.459336 -0.009695
C -3.306384 1.039118 -0.662438
C -3.288226 3.458367 -0.456933
C -3.957160 2.243088 -0.786645
C -1.174796 -2.604192 -0.250511
C -0.652428 -3.030812 0.972044
C -1.250210 -3.421678 -1.383643
C -0.190461 -4.347661 1.054654
C -0.785884 -4.734412 -1.269143
C -0.258142 -5.195654 -0.057083
H 2.182495 -1.120277 1.079897
H 3.431283 -0.281199 2.056756
H 3.348875 2.197151 2.327471
H 2.039965 3.140539 1.541711
H 4.365641 -0.884052 -0.182558
H 3.025790 -0.050048 -1.019091
H 2.939469 2.606254 -0.729345
H 4.229433 3.324262 0.276539
H 4.838001 1.477533 -2.144463
H 6.047637 0.525999 -1.239127
H 5.991334 2.284632 -1.046246
H -1.466474 4.379509 0.248527
H -3.794884 0.093965 -0.907562
H -3.833677 4.397235 -0.567116
H -4.986194 2.288728 -1.135107
H -0.595338 -2.353653 1.823077
H -1.662910 -3.038012 -2.313623
H 0.223490 -4.713865 1.993976
H -0.833409 -5.399552 -2.130943
H 0.102713 -6.219582 0.020777


%chk=000217674-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217674

0 1
O -1.970044 -1.379347 -0.388771
N 1.909989 1.092879 0.675382
N 4.722476 1.242678 0.153713
N -0.104166 2.285218 0.384565
N -0.023064 -0.151605 0.158540
C 2.727748 -0.133312 0.705457
C 2.646703 2.334738 0.973482
C 3.954392 0.029320 -0.215285
C 3.874530 2.455330 0.050170
C 0.557693 1.098952 0.399705
C 5.979069 1.367542 -0.609250
C -1.459651 2.243183 0.105891
C -2.157338 1.001994 -0.157672
C -1.323217 -0.174151 -0.105880
C -2.213193 3.459805 0.073072
C -3.554320 0.995370 -0.436542
C -3.584392 3.434416 -0.204205
C -4.264474 2.201789 -0.459756
C -1.318981 -2.644565 -0.249068
C -0.641195 -3.018488 0.931341
C -1.502341 -3.549222 -1.313854
C -0.126597 -4.330212 1.030306
C -0.984682 -4.859261 -1.199312
C -0.293560 -5.252776 -0.029920
H 2.101833 -0.980724 0.389169
H 3.081264 -0.308502 1.742262
H 2.990826 2.307100 2.027423
H 1.957138 3.181746 0.840145
H 4.610601 -0.853935 -0.103085
H 3.607758 0.067616 -1.280568
H 3.525041 2.626309 -1.000870
H 4.473303 3.333577 0.355998
H 5.820145 1.483634 -1.711594
H 6.603054 0.470252 -0.446673
H 6.545198 2.246400 -0.251696
H -1.682324 4.395694 0.271596
H -4.050988 0.039407 -0.628310
H -4.149342 4.373596 -0.225873
H -5.338610 2.206642 -0.672694
H -0.513317 -2.301530 1.745745
H -2.043094 -3.222015 -2.207055
H 0.401563 -4.631596 1.941665
H -1.123404 -5.568725 -2.022319
H 0.106868 -6.268526 0.057224


