%chk=000262321.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262321

0 1
S 2.318555 0.133281 1.667594
O 1.174528 0.900943 0.467710
O 1.651829 -1.048583 2.115736
O 2.436394 1.255629 2.541396
O -1.397019 3.889392 0.907124
O -0.131866 -2.877452 -0.519516
O 0.586864 3.369971 0.220687
O 1.529706 -1.528822 -0.214215
N -0.561388 3.096462 0.497610
N 0.327883 -1.781769 -0.263222
C -2.873313 0.171668 -0.079447
C -0.090410 0.629524 0.266450
C -1.022853 1.709640 0.300419
C -0.587652 -0.669725 -0.041784
C -2.391767 1.472525 0.149090
C -1.970635 -0.887910 -0.185537
C 3.697644 -0.081681 0.722436
C -4.326079 -0.065209 -0.216220
C 4.468389 1.041038 0.364485
C 4.084964 -1.357414 0.281152
C 6.010113 -0.395267 -0.839889
C -5.196398 0.301821 0.822234
C -4.836129 -0.656527 -1.382621
C 5.614956 0.886285 -0.405277
C 5.236283 -1.514211 -0.487858
C -6.569002 0.076163 0.691107
C -6.210279 -0.877705 -1.505973
C 7.234854 -0.548776 -1.673434
C -7.077647 -0.512714 -0.471208
H -3.093025 2.318901 0.209848
H -2.328046 -1.908398 -0.388328
H 4.165591 2.043073 0.696318
H 3.474775 -2.237458 0.535192
H -4.802933 0.754522 1.731525
H -4.164944 -0.936019 -2.192939
H 6.207221 1.759009 -0.679220
H 5.527420 -2.508787 -0.824869
H -7.243920 0.359549 1.498218
H -6.606102 -1.335264 -2.411982
H 7.535056 -1.596823 -1.812969
H 7.082468 -0.124705 -2.679633
H 8.098031 -0.024041 -1.236020
H -8.147916 -0.686835 -0.570268


%chk=000262321-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000262321

0 1
S 2.181054 0.093233 1.351874
O 1.172215 0.877334 -0.314998
O 1.460580 -1.333953 1.636200
O 2.212418 1.234412 2.501477
O -1.297318 3.771072 1.045243
O -0.450752 -3.010170 -0.801401
O 0.353539 3.501480 -0.511905
O 1.246728 -1.646045 -1.454705
N -0.637023 3.067826 0.181049
N 0.076484 -1.842321 -0.952744
C -3.034665 0.168425 -0.192989
C -0.155049 0.629424 -0.325735
C -1.103699 1.675249 -0.038066
C -0.747243 -0.661978 -0.575927
C -2.484601 1.459535 0.030670
C -2.132768 -0.881226 -0.500555
C 3.864950 -0.080588 0.567951
C -4.498687 -0.070016 -0.106384
C 4.806343 0.925331 0.849633
C 4.112124 -1.189630 -0.255680
C 6.406790 -0.323521 -0.553751
C -5.317689 0.738335 0.731918
C -5.116592 -1.112750 -0.852661
C 6.087640 0.783724 0.279847
C 5.407637 -1.301083 -0.805986
C -6.705758 0.510516 0.821481
C -6.505027 -1.339266 -0.763834
C 7.785110 -0.442134 -1.173918
C -7.306821 -0.529102 0.073829
H -3.127973 2.317625 0.242866
H -2.488693 -1.903287 -0.654554
H 4.550597 1.771937 1.493966
H 3.334849 -1.929607 -0.469214
H -4.865938 1.526428 1.344700
H -4.517256 -1.731911 -1.529263
H 6.848282 1.545555 0.484332
H 5.636916 -2.157442 -1.449126
H -7.316561 1.136689 1.480426
H -6.962555 -2.141202 -1.352903
H 7.947447 -1.436932 -1.620711
H 7.921312 0.310418 -1.973871
H 8.579341 -0.267236 -0.426051
H -8.385484 -0.705845 0.143371


