%chk=000257581.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257581

0 1
S -0.242033 -0.994231 -1.262093
S 0.242099 0.991541 -1.264838
N -5.250577 -0.459368 0.089032
N 5.250564 0.460408 0.088073
C -5.366068 1.036984 0.100257
C -6.370904 -1.087941 0.866596
C 5.366045 -1.035908 0.103540
C 6.370857 1.091174 0.863909
C -6.700601 1.462659 -0.533735
C -7.721455 -0.693784 0.244862
C 6.700607 -1.463385 -0.529177
C 7.721437 0.695249 0.243362
C -7.887557 0.830241 0.203284
C 7.887531 -0.828889 0.206109
C -3.924158 -0.899760 0.636301
C 3.924120 0.902355 0.634023
C -2.839140 -0.661416 -0.432499
C 2.839162 0.661019 -0.434167
C -1.501781 -1.227213 0.018858
C 1.501782 1.228094 0.015518
H -5.277173 1.466911 1.120883
H -4.523239 1.446314 -0.499845
H -6.247253 -2.191102 0.807628
H -6.355811 -0.812346 1.942663
H 4.523244 -1.446930 -0.495444
H 5.277095 -1.462943 1.125374
H 6.355708 0.818629 1.940752
H 6.247216 2.194165 0.801810
H -6.781257 2.564239 -0.527961
H -6.715258 1.151266 -1.597905
H -7.781771 -1.101450 -0.784677
H -8.544263 -1.159138 0.816145
H 6.781256 -2.564944 -0.520279
H 6.715320 -1.155007 -1.594223
H 7.781807 1.099996 -0.787325
H 8.544218 1.162213 0.813365
H -7.959292 1.235099 1.230046
H -8.834958 1.096811 -0.300160
H 7.959210 -1.230839 1.234017
H 8.834955 -1.096891 -0.296529
H -3.650658 -0.389662 1.584002
H -3.979809 -1.986715 0.864373
H 3.650556 0.394929 1.583140
H 3.979769 1.989947 0.859042
H -2.756418 0.423921 -0.649101
H -3.164949 -1.122663 -1.390033
H 2.756441 -0.424921 -0.647722
H 3.165032 1.119569 -1.392976
H -1.173691 -0.785613 0.977511
H -1.560584 -2.324497 0.180421
H 1.173637 0.789195 0.975391
H 1.560590 2.325830 0.174002


%chk=000257581-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257581

0 1
S -0.141453 -1.127098 -1.515630
S 0.141503 1.122617 -1.519408
N -5.253377 -0.472215 0.125940
N 5.253242 0.473302 0.124965
C -5.374068 0.998685 -0.051959
C -6.282514 -0.981501 1.071208
C 5.374432 -0.998001 -0.049259
C 6.282018 0.985219 1.069195
C -6.770552 1.385797 -0.580033
C -7.706110 -0.662556 0.572778
C 6.771124 -1.385902 -0.576212
C 7.705823 0.665564 0.571795
C -7.880140 0.857866 0.357043
C 7.880422 -0.855301 0.359696
C -3.888951 -0.890762 0.532328
C 3.888619 0.892535 0.529968
C -2.843706 -0.734096 -0.597114
C 2.843578 0.732345 -0.599165
C -1.483449 -1.307072 -0.179707
C 1.483386 1.307054 -0.183965
H -5.187652 1.531418 0.920682
H -4.601437 1.337468 -0.764006
H -6.151123 -2.075926 1.168339
H -6.147149 -0.537125 2.094960
H 4.602031 -1.338841 -0.760571
H 5.188074 -1.528368 0.924682
H 6.146627 0.543251 2.093986
H 6.150239 2.079830 1.163671
H -6.831905 2.486867 -0.678531
H -6.901459 0.950535 -1.589595
H -7.874378 -1.193524 -0.384126
H -8.445592 -1.042550 1.304022
H 6.832894 -2.487188 -0.672014
H 6.901969 -0.953049 -1.586817
H 7.874092 1.194320 -0.386332
H 8.445040 1.047539 1.302275
H -7.814285 1.377910 1.335671
H -8.880510 1.080008 -0.060406
H 7.814696 -1.373064 1.339541
H 8.880911 -1.078050 -0.057145
H -3.539652 -0.332509 1.442736
H -3.944288 -1.960511 0.817321
H 3.539343 0.336772 1.441901
H 3.943622 1.963105 0.811926
H -2.707591 0.332150 -0.858319
H -3.215231 -1.251050 -1.500523
H 2.707242 -0.334733 -0.856811
H 3.215413 1.246177 -1.504229
H -1.099552 -0.834060 0.741255
H -1.527269 -2.401658 -0.016453
H 1.099254 0.837382 0.738610
H 1.527399 2.402198 -0.024564


