%chk=000186947.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186947

0 1
O 2.257990 2.203083 1.051906
O 2.422438 -1.483674 -1.785249
N 4.118325 -0.216915 -0.762337
N 1.914528 0.392842 -0.411102
C 4.147374 0.780556 0.351018
C 4.563857 0.193863 1.708951
C 5.799737 -0.701557 1.568842
C 5.203360 -1.227091 -0.828919
C 5.552123 -1.815780 0.545016
C 2.682788 1.274067 0.417747
C 2.775119 -0.586920 -1.058639
C 0.490156 0.486771 -0.634512
C -0.090171 -0.127137 -1.757315
C -0.311217 1.192844 0.281718
C -2.275966 0.670602 -1.052689
C -1.468115 -0.033872 -1.956283
C -1.685027 1.280421 0.065354
C -3.758907 0.788148 -1.281393
C -4.560776 0.212494 -0.142988
C -5.491246 1.007632 0.541369
C -4.390940 -1.131548 0.226563
C -6.246668 0.460598 1.583215
C -5.147140 -1.671539 1.268587
C -6.077729 -0.877797 1.948619
H 4.827222 1.619150 0.052618
H 3.731057 -0.390613 2.151663
H 4.759660 1.021135 2.420687
H 6.054740 -1.140826 2.553052
H 6.678268 -0.096941 1.269289
H 6.088985 -0.713159 -1.270455
H 4.900003 -2.030219 -1.541692
H 6.446614 -2.461668 0.455477
H 4.736376 -2.479604 0.894495
H 0.521637 -0.688271 -2.469733
H 0.131384 1.682473 1.152929
H -1.911453 -0.517077 -2.826398
H -2.307907 1.822924 0.777568
H -4.058086 0.278432 -2.223858
H -4.013884 1.858198 -1.447030
H -5.628748 2.050771 0.265909
H -3.661525 -1.748171 -0.296521
H -6.968307 1.081586 2.111263
H -5.011171 -2.713643 1.553198
H -6.666060 -1.301167 2.759259


%chk=000186947-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186947

0 1
O 2.284209 2.048395 1.270786
O 2.435834 -1.572873 -1.800143
N 4.092504 -0.405325 -0.583207
N 1.945040 0.308793 -0.345569
C 4.162849 0.670647 0.412814
C 4.782986 0.161687 1.739381
C 6.115956 -0.568931 1.439054
C 5.261796 -1.242060 -0.876309
C 5.902315 -1.738365 0.443747
C 2.700827 1.124324 0.528598
C 2.805083 -0.668831 -1.010431
C 0.523782 0.400919 -0.564751
C -0.036390 0.007766 -1.805224
C -0.323050 0.894630 0.461783
C -2.290025 0.603569 -0.995374
C -1.429018 0.106559 -2.003551
C -1.709779 0.994065 0.238183
C -3.787955 0.753801 -1.251890
C -4.702544 0.248660 -0.136324
C -5.789450 1.037946 0.315820
C -4.510326 -1.033536 0.441662
C -6.668687 0.560382 1.315313
C -5.385581 -1.514598 1.439619
C -6.470287 -0.719586 1.880456
H 4.768466 1.519594 0.033532
H 4.076041 -0.535718 2.228906
H 4.931018 1.018725 2.419606
H 6.552503 -0.948618 2.380979
H 6.846455 0.151079 1.014640
H 6.000330 -0.649976 -1.454669
H 4.922455 -2.079110 -1.509595
H 6.865432 -2.231584 0.215038
H 5.241351 -2.497806 0.904526
H 0.603733 -0.394861 -2.592244
H 0.102990 1.216655 1.413778
H -1.850109 -0.209365 -2.965930
H -2.353933 1.371624 1.040503
H -4.035828 0.223291 -2.193240
H -4.018096 1.822505 -1.436818
H -5.948609 2.033750 -0.117263
H -3.666552 -1.650857 0.110461
H -7.503011 1.186094 1.652604
H -5.222996 -2.507750 1.874048
H -7.149033 -1.092310 2.655893


