%chk=000197468.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197468

0 1
O -6.179067 -0.565053 -0.655798
O 1.921000 2.519294 -1.196249
O 4.316533 -4.243969 0.987425
O 5.413184 -3.341643 -0.643598
N -4.524676 -1.111372 0.827775
N 1.126358 1.196511 0.521451
N 4.528374 -3.335367 0.197693
C -3.187399 -2.772263 -0.495993
C -4.431729 -2.519169 0.367157
C -1.885262 -2.769191 0.315049
C -5.262250 1.237203 0.653998
C -3.877812 1.794687 0.523158
C -1.286599 2.841704 0.255798
C -5.367668 -0.207440 0.179700
C 0.097241 3.401424 0.103396
C -3.184450 2.258671 1.649455
C -3.267596 1.860922 -0.741583
C -1.894889 2.781129 1.516487
C -1.981234 2.379698 -0.874565
C -0.674106 -3.056548 -0.568579
C 1.132631 2.363777 -0.290986
C 1.996908 0.082362 0.396753
C 1.803362 -0.995289 1.297989
C 3.025379 0.026009 -0.566930
C 3.655306 -2.156064 0.266601
C 2.632123 -2.106237 1.230950
C 3.850292 -1.089056 -0.629999
H -3.303093 -3.746891 -1.012217
H -3.131793 -2.020181 -1.308261
H -4.435259 -3.176800 1.264406
H -5.352643 -2.765089 -0.218652
H -1.944095 -3.524580 1.123727
H -1.753257 -1.792127 0.817430
H -5.649313 1.312405 1.692116
H -5.974805 1.848059 0.047698
H -3.758797 -0.780191 1.404890
H 0.097518 4.201006 -0.679043
H 0.435645 3.925721 1.024560
H -3.650773 2.224115 2.633455
H -3.805907 1.505693 -1.622893
H -1.374176 3.151904 2.398248
H -1.515247 2.428923 -1.859890
H -0.577198 -2.323248 -1.377767
H 0.257486 -3.030312 0.008859
H -0.738949 -4.046842 -1.035414
H 0.396774 1.119732 1.239588
H 1.011402 -0.960655 2.043617
H 3.175649 0.859161 -1.266773
H 2.500743 -2.948416 1.921189
H 4.655130 -1.148315 -1.373527


%chk=000197468-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197468

0 1
O -6.307868 -0.992900 0.380487
O 2.557293 3.137003 0.504022
O 3.984479 -4.415914 0.228767
O 5.794317 -3.084693 0.634853
N -4.104591 -0.963068 1.130436
N 1.134031 1.307095 0.118636
N 4.534266 -3.257047 0.402189
C -3.455712 -3.192365 0.134502
C -4.024905 -2.419915 1.349023
C -2.006438 -2.803372 -0.232170
C -5.184934 1.188031 0.488488
C -3.802108 1.805996 0.381889
C -1.185448 2.979205 0.167583
C -5.245645 -0.354434 0.646162
C 0.194330 3.606268 0.057025
C -3.127636 2.309021 1.526716
C -3.142365 1.897079 -0.872334
C -1.841300 2.882131 1.422913
C -1.858959 2.476395 -0.978460
C -1.455002 -3.616629 -1.423977
C 1.409392 2.669655 0.261309
C 2.024610 0.210874 0.197596
C 1.474055 -1.090071 0.007247
C 3.418111 0.358791 0.454626
C 3.670085 -2.062759 0.330428
C 2.289869 -2.228009 0.072306
C 4.236014 -0.782365 0.519640
H -3.496641 -4.275874 0.366982
H -4.121462 -3.027973 -0.734637
H -3.399582 -2.603213 2.244047
H -5.049646 -2.770655 1.561885
H -1.352901 -2.951092 0.653779
H -1.977192 -1.720751 -0.479929
H -5.734377 1.608006 1.352476
H -5.791532 1.414234 -0.405415
H -3.276789 -0.386684 1.292631
H 0.333049 4.069506 -0.939099
H 0.325491 4.418528 0.792972
H -3.624560 2.270371 2.503897
H -3.647901 1.529009 -1.773081
H -1.348411 3.275000 2.320366
H -1.385571 2.563279 -1.964717
H -2.081744 -3.472259 -2.323510
H -0.421358 -3.320405 -1.683769
H -1.445954 -4.698036 -1.193472
H 0.149203 1.079885 -0.058312
H 0.402734 -1.204614 -0.194333
H 3.831936 1.357786 0.598590
H 1.886202 -3.233634 -0.071159
H 5.308061 -0.696618 0.715810


