%chk=000206645.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206645

0 1
O -1.984205 -3.148940 1.205722
O -2.917336 -0.237187 1.415268
O 0.960291 -3.922750 -0.704791
O -3.626229 3.613979 -1.038969
N -0.185523 -0.441796 -0.022320
N -1.664588 2.485652 -1.459563
N 0.381570 1.045394 -1.670870
N -3.270502 1.693304 0.204994
N 4.283389 -2.099837 1.461592
C -1.236382 0.492175 -0.115999
C -0.162330 -1.557716 0.929613
C 0.754834 -0.094917 -0.989186
C -0.845358 1.409501 -1.130529
C -0.891027 -2.796953 0.355833
C 1.979263 -0.887230 -1.286779
C -2.490071 0.553813 0.589670
C -2.909778 2.667036 -0.779435
C 0.007273 -4.049456 0.361146
C 2.978947 -0.861635 -0.168073
C -1.252583 3.446448 -2.511654
C -4.595013 1.893275 0.856431
C 3.549599 0.341036 0.271889
C 3.377623 -2.063979 0.453470
C 4.485699 0.311994 1.307457
C 4.826850 -0.926214 1.877723
H 0.894501 -1.793967 1.200170
H -0.664214 -1.245838 1.884238
H -1.286865 -2.599307 -0.667502
H 2.453360 -0.495669 -2.222109
H 1.684944 -1.943718 -1.524625
H -0.593830 -4.969936 0.257389
H 0.628303 -4.129000 1.273678
H -2.024573 4.230069 -2.636760
H -1.113780 2.921932 -3.474063
H -0.296441 3.926657 -2.236572
H -5.408039 1.579370 0.179753
H -4.743428 2.958979 1.107756
H -4.653295 1.291979 1.783214
H -2.572164 -2.355910 1.361446
H 3.261348 1.286751 -0.191319
H 2.959255 -3.033956 0.137982
H 0.589892 -4.282773 -1.537406
H 4.944444 1.230361 1.667435
H 5.555770 -0.997320 2.693457


%chk=000206645-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206645

0 1
O -2.306186 -3.028703 1.192641
O -3.039666 -0.401492 1.320886
O 0.729790 -4.303428 -0.521783
O -3.538469 3.679088 -0.963636
N -0.226685 -0.571719 -0.069916
N -1.566600 2.468306 -1.360637
N 0.417860 1.012113 -1.590481
N -3.240696 1.654965 0.182162
N 4.652031 -1.786844 1.415593
C -1.251830 0.390587 -0.120025
C -0.180523 -1.773358 0.787384
C 0.746399 -0.166629 -0.977806
C -0.812220 1.348466 -1.051609
C -1.141345 -2.915052 0.333675
C 2.015832 -0.926557 -1.244656
C -2.529503 0.465674 0.528296
C -2.817645 2.669349 -0.731670
C -0.418530 -4.273188 0.409096
C 3.085150 -0.744982 -0.164894
C -1.073944 3.456733 -2.340786
C -4.571030 1.879121 0.797606
C 3.531094 0.541014 0.230978
C 3.678509 -1.871341 0.460431
C 4.537178 0.647438 1.214891
C 5.067195 -0.537683 1.778133
H 0.859641 -2.132564 0.771342
H -0.434527 -1.490556 1.823803
H -1.435106 -2.723186 -0.726182
H 2.398575 -0.557720 -2.212665
H 1.797458 -2.005220 -1.357750
H -1.139241 -5.085865 0.201657
H 0.008126 -4.427649 1.413315
H -1.834136 4.246109 -2.428685
H -0.911938 2.970013 -3.316709
H -0.117779 3.885316 -1.997235
H -5.343331 1.939293 0.013712
H -4.569504 2.829688 1.354761
H -4.770483 1.033847 1.471152
H -2.697326 -2.108136 1.324936
H 3.095286 1.436541 -0.227457
H 3.358737 -2.886624 0.189607
H 0.403138 -4.518292 -1.430631
H 4.907355 1.624217 1.542322
H 5.848488 -0.497389 2.545637


