%chk=000250569.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250569

0 1
S 1.693616 -0.991100 1.409647
S -3.269170 0.441594 0.805317
O 0.647092 -1.685611 0.672837
O 2.063162 -1.500166 2.715479
O -3.930081 1.637551 0.329796
O -3.766371 -0.222745 1.989418
N 1.193559 0.654351 1.689146
N -1.634165 0.853894 1.225502
C 0.283728 0.824046 2.856233
C -1.144835 0.345801 2.541516
C 0.675615 1.355971 0.535245
C -0.732709 1.483929 0.339209
C 1.571788 1.977356 -0.341978
C -1.198525 2.244592 -0.751241
C 3.089281 -0.826283 0.409081
C -3.117760 -0.659683 -0.510276
C 1.089372 2.697408 -1.436699
C -0.289347 2.831245 -1.630552
C 2.980598 -0.997198 -0.975436
C -2.165437 -1.682430 -0.507182
C 4.329278 -0.538819 0.988988
C -3.999471 -0.528655 -1.593804
C 4.113664 -0.870459 -1.783588
C -2.102456 -2.581429 -1.579566
C 5.462986 -0.411448 0.180707
C -3.937669 -1.424294 -2.661292
C 5.353467 -0.576432 -1.204362
C -2.988072 -2.455426 -2.651379
H 0.283625 1.904766 3.133867
H 0.697914 0.272314 3.733853
H -1.190264 -0.770680 2.543311
H -1.848198 0.689323 3.338985
H 2.645200 1.900235 -0.164591
H -2.270394 2.414656 -0.899495
H 1.785880 3.167267 -2.126370
H -0.663511 3.412196 -2.474218
H 2.009829 -1.234374 -1.426198
H -1.440468 -1.792720 0.315634
H 4.416991 -0.420546 2.074751
H -4.736096 0.283127 -1.607213
H 4.031392 -1.002328 -2.861629
H -1.354923 -3.374854 -1.568147
H 6.429683 -0.187747 0.630257
H -4.624578 -1.323161 -3.499643
H 6.238301 -0.477754 -1.835187
H -2.941521 -3.157683 -3.484432


%chk=000250569-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250569

0 1
S 1.818251 -0.966927 1.202980
S -3.448512 0.422773 1.068619
O 0.819040 -1.657350 0.078431
O 1.962334 -1.648384 2.695419
O -4.414295 1.683079 0.729436
O -3.722723 -0.466080 2.396242
N 1.222599 1.198250 1.520342
N -1.650411 1.016408 1.345110
C 0.376688 1.039081 2.736189
C -0.986203 0.349728 2.486939
C 0.522006 1.617053 0.388925
C -0.931989 1.586574 0.300106
C 1.273657 2.151432 -0.703923
C -1.562440 2.178992 -0.833530
C 3.537113 -0.916987 0.429170
C -3.341700 -0.654524 -0.497658
C 0.637911 2.675297 -1.833759
C -0.786370 2.698198 -1.881368
C 3.631432 -0.933544 -0.972871
C -2.243720 -1.509598 -0.681158
C 4.647761 -0.868912 1.288404
C -4.431713 -0.553163 -1.379237
C 4.925331 -0.896802 -1.543311
C -2.254957 -2.324193 -1.838793
C 5.932278 -0.832810 0.697929
C -4.419735 -1.384167 -2.522864
C 6.068517 -0.842330 -0.710932
C -3.337148 -2.267524 -2.747727
H 0.233600 2.058156 3.146380
H 0.937630 0.440553 3.476159
H -0.833309 -0.729731 2.294440
H -1.627233 0.437674 3.379859
H 2.364150 2.164430 -0.599818
H -2.653534 2.246817 -0.877316
H 1.224360 3.091219 -2.658544
H -1.293742 3.140296 -2.745997
H 2.726784 -0.999157 -1.585984
H -1.376753 -1.543399 -0.010491
H 4.511013 -0.884100 2.374369
H -5.247609 0.149682 -1.183909
H 5.037209 -0.914944 -2.632493
H -1.406212 -2.991264 -2.018568
H 6.820828 -0.801705 1.337114
H -5.253253 -1.338173 -3.231271
H 7.067299 -0.814972 -1.159929
H -3.334230 -2.907357 -3.636806


