%chk=000198092.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198092

0 1
O -2.776917 -1.659930 -0.260500
N 1.143132 0.732416 -0.376784
N 3.930026 0.155714 0.100113
N -2.583915 0.512526 -0.917466
N 6.149595 1.001974 0.245441
N -8.836903 0.351835 0.598850
C 1.605986 -0.669331 -0.109351
C 2.006857 1.695817 0.382088
C 3.055198 -0.826863 -0.609029
C 3.467005 1.564141 -0.094503
C -0.300532 0.898112 -0.013035
C -1.138812 0.386771 -1.207213
C 5.315598 -0.094012 0.135067
C 5.829193 -1.420893 0.171042
C -3.310538 -0.571245 -0.412538
C 7.195170 -1.604583 0.348329
C 7.474531 0.781791 0.423746
C 8.043736 -0.498067 0.479027
C -4.747609 -0.298399 -0.128476
C -5.700281 -1.230559 -0.575645
C -5.161505 0.822593 0.605241
C -7.052375 -1.037704 -0.319885
C -6.509068 1.031420 0.878733
C -7.467653 0.103548 0.406612
H 0.946776 -1.371776 -0.666640
H 1.543242 -0.949220 0.965527
H 1.956379 1.547980 1.483058
H 1.653747 2.727765 0.168544
H 3.405432 -1.862923 -0.403130
H 3.095637 -0.670828 -1.711374
H 3.556316 1.869760 -1.160538
H 4.114556 2.251640 0.499128
H -0.590713 0.358724 0.914736
H -0.520255 1.971408 0.165756
H -0.890781 0.958194 -2.127803
H -0.897100 -0.684756 -1.414787
H -3.010407 1.417400 -1.069038
H 5.161136 -2.272244 0.081481
H 7.607523 -2.613507 0.385546
H 8.092043 1.683905 0.515087
H 9.110810 -0.625596 0.617317
H -5.365530 -2.116255 -1.123405
H -4.423106 1.533285 0.979709
H -7.782966 -1.756421 -0.680447
H -6.821860 1.904080 1.444282
H -9.475845 -0.420827 0.494591
H -9.102753 0.999240 1.323935


%chk=000198092-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198092

0 1
O -2.541672 -1.372012 -0.418288
N 1.184954 0.950301 -0.458694
N 3.950266 0.166883 -0.252358
N -2.579457 0.880940 -0.964553
N 6.040958 0.746770 0.663616
N -8.773312 -0.193959 0.913202
C 1.559937 -0.480621 -0.346062
C 2.148753 1.783569 0.303419
C 2.974751 -0.718892 -0.911110
C 3.568591 1.595548 -0.257327
C -0.234486 1.196176 -0.114754
C -1.154309 0.885953 -1.324601
C 5.237143 -0.228275 0.112814
C 5.720778 -1.569800 -0.054406
C -3.194374 -0.277506 -0.501866
C 7.020651 -1.883630 0.377482
C 7.294612 0.412195 1.068802
C 7.840811 -0.884259 0.959502
C -4.644357 -0.186787 -0.133602
C -5.350207 -1.404283 0.061279
C -5.354758 1.030468 0.050606
C -6.710049 -1.416111 0.402947
C -6.716845 1.036150 0.398178
C -7.422855 -0.191103 0.574559
H 0.836805 -1.098224 -0.906908
H 1.534053 -0.818800 0.720900
H 2.148916 1.526403 1.392883
H 1.860267 2.846201 0.201038
H 3.241033 -1.774522 -0.746635
H 2.962302 -0.528522 -2.006247
H 3.592126 1.980295 -1.299738
H 4.314449 2.141957 0.339436
H -0.572947 0.582482 0.753347
H -0.347906 2.259619 0.170239
H -0.976538 1.624043 -2.126127
H -0.911549 -0.115838 -1.717708
H -3.125055 1.732014 -1.092168
H 5.108073 -2.346235 -0.518554
H 7.396447 -2.905569 0.252715
H 7.881942 1.233088 1.498965
H 8.856804 -1.097462 1.302691
H -4.792689 -2.338637 -0.062619
H -4.849298 2.000128 -0.042808
H -7.232636 -2.370543 0.541428
H -7.240692 1.988673 0.544420
H -9.273733 -1.067834 1.047059
H -9.283497 0.675667 1.037006


