%chk=000298025.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298025

0 1
S 1.371000 -1.975907 -0.334784
O 3.185462 0.869152 1.777929
O 5.377042 0.506644 1.490478
N 4.556939 1.141140 -1.303991
C -0.641090 -0.488462 0.509415
C -1.808815 -1.285060 0.544341
C -0.691928 0.812512 -0.038375
C -3.041025 -0.772809 0.024827
C -1.924801 1.322522 -0.560825
C -3.090342 0.527375 -0.527398
C 0.644605 -1.023729 1.048052
C -1.803339 -2.622090 1.098232
C 0.474647 1.667192 -0.088840
C -4.214719 -1.616568 0.081131
C -1.933155 2.659084 -1.115518
C -4.384231 1.047611 -1.072338
C 3.116133 -2.169270 0.152091
C 4.001315 -1.274507 -0.700597
C 3.800939 0.227665 -0.417477
C -2.931458 -3.384514 1.131315
C 0.423085 2.919588 -0.619420
C -4.166129 -2.870436 0.611565
C -0.811200 3.429117 -1.147364
C 4.278059 0.538635 0.999648
H 1.336476 -0.218623 1.382258
H 0.495223 -1.684282 1.923873
H -0.862981 -3.015882 1.487237
H 1.418795 1.278183 0.316939
H -5.152063 -1.226882 -0.314120
H -2.879839 3.035210 -1.512915
H -4.752025 0.415285 -1.893795
H -5.160961 1.076949 -0.294318
H -4.302874 2.069426 -1.474498
H 3.251409 -1.979496 1.231933
H 3.375738 -3.236277 -0.008444
H 3.806335 -1.464891 -1.778243
H 5.066778 -1.550364 -0.540434
H 2.699873 0.496308 -0.500560
H -2.922639 -4.391079 1.545919
H 1.306360 3.556340 -0.654807
H -5.049744 -3.504106 0.652327
H -0.821587 4.433416 -1.565669
H 4.175179 1.131541 -2.245417
H 5.541210 0.889302 -1.356619
H 3.430638 1.127836 2.705357


%chk=000298025-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298025

0 1
S 1.506540 -1.903292 -0.364566
O 3.443571 1.037689 1.451299
O 5.737002 1.090469 1.108335
N 5.250876 0.518153 -1.604182
C -0.783017 -0.430025 0.462810
C -1.927803 -1.286943 0.422181
C -0.896830 0.918595 -0.001134
C -3.219902 -0.763048 -0.008392
C -2.194789 1.440273 -0.441975
C -3.352793 0.601421 -0.416280
C 0.525884 -0.954754 0.999327
C -1.841275 -2.681106 0.786806
C 0.248612 1.797331 -0.056002
C -4.351719 -1.659826 -0.016536
C -2.250217 2.810641 -0.899138
C -4.726987 1.110741 -0.824917
C 3.192584 -2.079230 0.510151
C 4.336541 -1.512027 -0.351143
C 4.292095 0.038651 -0.601581
C -2.955499 -3.512917 0.758411
C 0.145198 3.107603 -0.507588
C -4.230760 -2.993691 0.357843
C -1.123183 3.622880 -0.933402
C 4.600917 0.771763 0.698016
H 1.195758 -0.155251 1.344203
H 0.371242 -1.664250 1.826826
H -0.868809 -3.104064 1.054056
H 1.230600 1.426365 0.248752
H -5.328083 -1.285197 -0.336126
H -3.201358 3.225981 -1.241122
H -5.080874 0.612985 -1.748279
H -5.475810 0.905245 -0.037926
H -4.746912 2.193239 -1.009415
H 3.108392 -1.554767 1.477266
H 3.350114 -3.153145 0.704776
H 4.313736 -1.990054 -1.349843
H 5.312996 -1.772516 0.107524
H 3.264149 0.291518 -0.917493
H -2.859972 -4.570055 1.029848
H 1.034388 3.746380 -0.547602
H -5.104898 -3.654002 0.337155
H -1.199707 4.655469 -1.291389
H 5.121588 0.133581 -2.541661
H 6.223120 0.544239 -1.284969
H 3.701587 1.501748 2.295179


