%chk=000244450.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244450

0 1
S 1.383419 -0.095110 1.637768
O 0.689331 0.838886 2.479940
O 1.760731 -1.366882 2.183778
O -1.645970 -3.332820 0.023176
O 0.458588 0.173423 -2.083828
O 0.333991 -2.946768 -1.006920
N 0.403034 -0.362045 0.198548
C -0.853790 -1.132988 0.230012
C -2.008665 -0.469075 -0.541503
C -2.514598 0.790181 0.170041
C -3.648134 1.454084 -0.623140
C 2.653272 0.664385 0.735951
C 0.968872 0.166291 -0.991185
C 2.317805 0.751296 -0.632973
C -4.167521 2.708358 0.091929
C -0.588176 -2.537661 -0.351126
C 3.859446 1.150927 1.198595
C -5.297589 3.379670 -0.701187
C 3.186966 1.324816 -1.545304
C 4.751578 1.737911 0.275197
C 4.420016 1.822799 -1.073868
C -5.819325 4.628206 0.006680
C -1.613888 -4.747207 -0.354730
C -0.674023 -5.499212 0.562998
H -1.162181 -1.265006 1.308255
H -1.685503 -0.221461 -1.577573
H -2.834969 -1.203644 -0.648406
H -1.681784 1.508405 0.309491
H -2.864303 0.538710 1.190647
H -4.477035 0.735670 -0.772716
H -3.291578 1.719466 -1.637794
H -3.338927 3.426545 0.245349
H -4.525664 2.445256 1.105910
H -4.938694 3.647131 -1.714385
H -6.127755 2.662611 -0.854072
H 4.133888 1.089862 2.253920
H 2.922860 1.386284 -2.604073
H 5.708161 2.124895 0.629435
H 5.116657 2.277002 -1.781764
H -6.217693 4.392061 1.000017
H -5.029141 5.375673 0.141013
H -6.624663 5.101015 -0.566197
H -1.321542 -4.818756 -1.417362
H -2.675457 -5.021514 -0.216048
H -0.731658 -6.581443 0.400511
H 0.371674 -5.195099 0.398399
H -0.898663 -5.305029 1.620094


%chk=000244450-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244450

0 1
S 1.332215 0.060515 1.756873
O 0.603154 1.218365 2.625759
O 1.654820 -1.347162 2.494179
O -1.590622 -3.337755 -0.233342
O 0.618756 -0.042257 -2.177725
O 0.656302 -2.893566 -0.688046
N 0.355283 -0.248259 0.151096
C -0.828855 -1.107709 0.220711
C -2.064065 -0.480367 -0.487517
C -2.503678 0.851124 0.156190
C -3.750022 1.444361 -0.537552
C 2.739664 0.741537 0.708859
C 1.058343 0.097634 -1.002413
C 2.394549 0.688611 -0.651418
C -4.218529 2.776192 0.091190
C -0.468029 -2.521296 -0.296440
C 3.943970 1.249514 1.202666
C -5.469862 3.366511 -0.597588
C 3.322377 1.169687 -1.597742
C 4.867856 1.727507 0.238107
C 4.557675 1.686409 -1.144023
C -5.932699 4.697574 0.033725
C -1.396114 -4.770355 -0.635570
C -0.882376 -5.594967 0.546665
H -1.084933 -1.226197 1.294007
H -1.824850 -0.333984 -1.555601
H -2.880347 -1.222912 -0.422255
H -1.672965 1.582383 0.112807
H -2.721409 0.692458 1.233061
H -4.580459 0.708541 -0.496146
H -3.529289 1.604989 -1.613380
H -3.391998 3.515570 0.044967
H -4.433480 2.619210 1.168874
H -5.253865 3.521780 -1.674498
H -6.294967 2.626544 -0.549921
H 4.171321 1.276576 2.272154
H 3.062445 1.125972 -2.660190
H 5.830226 2.129900 0.570095
H 5.286798 2.059388 -1.870310
H -6.181353 4.562906 1.103467
H -5.137049 5.463831 -0.030160
H -6.829408 5.098205 -0.474107
H -0.692911 -4.798585 -1.486054
H -2.401324 -5.083147 -0.959581
H -0.816534 -6.659538 0.254488
H 0.122542 -5.259771 0.852956
H -1.564905 -5.515867 1.410186


