%chk=000208114.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208114

0 1
O -4.916293 1.704682 0.854764
O 1.641501 1.426705 -2.312362
O 3.952577 -2.548616 1.147876
O 6.124390 1.740990 0.655622
O 6.198418 -0.784574 1.700652
N -3.067428 0.370559 0.726749
N 0.405677 0.811945 -0.493847
N -6.446138 0.833731 -1.484368
C -0.891283 1.227475 -1.092900
C -1.770550 -0.006383 -1.381628
C -1.614575 2.218438 -0.160587
C -2.358317 -0.635489 -0.109035
C -2.217889 1.545277 1.079869
C -4.454520 0.599608 0.585775
C 1.604451 0.943770 -1.192788
C -5.323139 -0.546919 0.205901
C 2.822646 0.471140 -0.441543
C -6.326610 -0.376685 -0.781245
C -5.214986 -1.778393 0.871202
C 3.875891 1.377248 -0.265986
C 2.888627 -0.829442 0.040839
C -7.161474 -1.472289 -1.122561
C -6.046017 -2.844088 0.541151
C 4.052184 -1.252225 0.725437
C 5.021007 0.958224 0.419310
C 5.128450 -0.365219 0.927629
C -7.012013 -2.685746 -0.466722
C 5.071931 -3.137933 1.862076
C 6.117464 3.093045 0.127175
C 7.497053 -0.667039 1.055247
H -0.663250 1.743493 -2.070425
H -2.592156 0.296132 -2.062684
H -1.187404 -0.765577 -1.938849
H -0.923950 3.025838 0.151032
H -2.420568 2.721951 -0.733877
H -3.045302 -1.464987 -0.387006
H -1.553007 -1.085341 0.513637
H -2.836918 2.281699 1.648288
H -1.422373 1.189493 1.768883
H 0.378503 0.413550 0.438932
H -4.470514 -1.891868 1.663014
H 3.792763 2.380436 -0.676977
H 2.084222 -1.546674 -0.109991
H -7.916008 -1.357014 -1.895954
H -5.955841 -3.793123 1.062060
H -7.656650 -3.526117 -0.729017
H -7.313511 0.994811 -1.975542
H -6.098863 1.671749 -1.018305
H 5.306900 -2.544005 2.753720
H 4.673127 -4.125475 2.119958
H 5.939327 -3.206007 1.200257
H 7.100027 3.460048 0.450655
H 6.040062 3.075918 -0.964071
H 5.312083 3.674249 0.585808
H 8.159522 -1.119743 1.800112
H 7.506222 -1.217879 0.113060
H 7.739421 0.392145 0.901881


%chk=000208114-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208114

0 1
O -5.181118 1.019318 1.152823
O 1.488432 1.786897 -1.899338
O 3.676954 -1.006963 3.006708
O 6.407502 0.819498 -0.643514
O 6.300787 -0.496994 1.814352
N -3.080748 0.285269 0.481123
N 0.338132 1.545311 0.100323
N -7.156306 0.389917 -0.577936
C -0.924987 2.082429 -0.458208
C -1.614194 1.051288 -1.390043
C -1.883365 2.480324 0.687100
C -2.179959 -0.160789 -0.613479
C -2.456911 1.245612 1.422131
C -4.473851 0.169861 0.486922
C 1.479009 1.427152 -0.675204
C -5.120598 -0.956370 -0.251790
C 2.707556 0.872430 -0.002331
C -6.454815 -0.785642 -0.777181
C -4.495391 -2.228206 -0.375306
C 3.943229 1.080270 -0.661835
C 2.674822 0.157939 1.212557
C -7.039760 -1.861365 -1.516894
C -5.102392 -3.293642 -1.064072
C 3.868118 -0.345308 1.788315
C 5.135851 0.604108 -0.087779
C 5.121997 -0.117308 1.150258
C -6.374153 -3.088179 -1.660881
C 4.623555 -2.037359 3.470638
C 6.480233 1.638359 -1.859377
C 7.246877 -1.372535 1.086703
H -0.659618 2.970039 -1.063518
H -2.440350 1.559819 -1.923796
H -0.889241 0.705680 -2.147960
H -1.369424 3.142707 1.410792
H -2.725124 3.053102 0.257713
H -2.734976 -0.811359 -1.303457
H -1.345811 -0.750352 -0.181234
H -3.230652 1.558112 2.140147
H -1.658043 0.709843 1.977361
H 0.394333 1.366688 1.103530
H -3.525647 -2.385698 0.110054
H 3.922348 1.621394 -1.611239
H 1.743836 -0.088186 1.733181
H -8.039426 -1.724139 -1.947553
H -4.603680 -4.265144 -1.134107
H -6.855672 -3.899813 -2.218630
H -8.092113 0.497255 -0.959852
H -6.794094 1.034454 0.134707
H 5.565709 -1.584942 3.815221
H 4.097939 -2.534058 4.301392
H 4.835121 -2.771887 2.669870
H 7.553042 1.709526 -2.091212
H 5.944024 1.158358 -2.699807
H 6.064937 2.648287 -1.682511
H 8.062808 -1.563333 1.800433
H 6.754364 -2.325774 0.810034
H 7.627803 -0.866403 0.185955


