%chk=000253105.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253105

0 1
S -0.630191 0.367479 -1.649885
O 5.155974 0.948466 0.289582
O 0.086612 2.090026 1.423014
O -5.526645 -0.566341 -0.104885
N -1.150757 3.148725 -1.952971
C 2.089744 -0.792947 -0.601508
C 0.767855 -1.142612 0.089232
C 2.814827 0.358084 0.167387
C -0.181469 0.093257 0.105115
C -1.491486 -0.228332 0.896805
C 3.171162 -1.881033 -0.734985
C 4.175051 0.391835 -0.595358
C 1.949394 1.617589 0.031131
C 0.089081 -2.371362 -0.532117
C 4.487415 -1.091511 -0.923930
C 0.571735 1.348043 0.602741
C -2.111506 -1.496542 0.302807
C -1.212127 -2.701310 0.205745
C 3.069198 0.068046 1.650227
C -2.494187 0.960374 0.922689
C -1.118693 -0.527349 2.367307
C -3.644372 0.913392 -0.078613
C -3.391751 -1.587355 -0.081207
C -4.322455 -0.437382 -0.074114
C -0.934075 2.028994 -1.773519
H 1.868951 -0.439652 -1.642895
H 0.984496 -1.391910 1.166994
H 2.974236 -2.550906 -1.586719
H 3.219867 -2.519858 0.163086
H 4.132565 1.022004 -1.505672
H 1.877985 1.960340 -1.019426
H 2.415218 2.469994 0.575412
H 0.775610 -3.240518 -0.478638
H -0.106966 -2.232471 -1.613637
H 5.273126 -1.469050 -0.245606
H 4.876105 -1.201068 -1.947671
H -0.996006 -3.081806 1.226960
H -1.725902 -3.540565 -0.308784
H 3.574471 -0.893114 1.795822
H 3.745704 0.831393 2.070692
H 2.157479 0.071730 2.252587
H -1.957021 1.927232 0.822017
H -2.941803 1.022270 1.940231
H -0.327583 -1.279583 2.460609
H -0.765912 0.385033 2.872525
H -1.986503 -0.894093 2.928840
H -3.311173 1.134700 -1.112709
H -4.381072 1.711706 0.155490
H -3.832350 -2.517327 -0.444101
H 6.013542 1.041188 -0.167396


%chk=000253105-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253105

0 1
S -0.624940 0.482499 -1.742419
O 5.192099 1.172106 0.006618
O 0.166921 2.053760 1.623470
O -5.588023 -0.608638 -0.466714
N -0.945030 3.400448 -1.792711
C 2.118901 -0.813190 -0.577535
C 0.780639 -1.165946 0.097489
C 2.862487 0.342521 0.156366
C -0.175803 0.085947 0.181815
C -1.534486 -0.229886 0.933992
C 3.196461 -1.924224 -0.718238
C 4.167816 0.381413 -0.680643
C 1.986051 1.618636 0.071358
C 0.068586 -2.392514 -0.516656
C 4.539118 -1.126500 -0.874924
C 0.615595 1.338984 0.691403
C -2.138709 -1.516130 0.333305
C -1.228986 -2.730088 0.261037
C 3.195961 0.040140 1.640953
C -2.569468 0.957678 0.931394
C -1.215816 -0.526731 2.448692
C -3.695426 0.916619 -0.127546
C -3.435963 -1.603686 -0.094796
C -4.353683 -0.450569 -0.220431
C -0.808895 2.209767 -1.722710
H 1.891742 -0.448835 -1.602031
H 1.005590 -1.425809 1.152685
H 2.996879 -2.579234 -1.584016
H 3.223063 -2.569528 0.180271
H 3.940934 0.841077 -1.668960
H 1.866219 1.918037 -0.987791
H 2.434364 2.464302 0.619113
H 0.756973 -3.257540 -0.486903
H -0.168405 -2.210041 -1.584014
H 5.264212 -1.413408 -0.091641
H 5.015768 -1.307529 -1.854932
H -0.949865 -3.066347 1.280539
H -1.757974 -3.570377 -0.222199
H 3.699047 -0.934555 1.764040
H 3.880783 0.816312 2.020601
H 2.294327 0.045338 2.280209
H -2.033095 1.916901 0.869796
H -3.055896 0.954982 1.925089
H -0.424405 -1.280421 2.598387
H -0.912646 0.404795 2.951581
H -2.133020 -0.907105 2.932016
H -3.306750 1.159242 -1.135064
H -4.464706 1.673506 0.106437
H -3.845270 -2.570762 -0.416332
H 5.982125 1.270487 -0.580750


