%chk=000249346.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249346

0 1
S -0.436384 -1.796336 -0.731089
O 0.600201 0.611386 -0.694265
O -0.077038 -2.952922 0.082459
O -0.245775 -1.861700 -2.150335
O 1.974871 2.313664 -1.209225
O -6.283972 1.617833 -1.055388
N 0.701405 -0.625953 -0.034013
N 2.474972 -2.046118 0.804026
N -5.726131 0.356778 0.797116
C 2.093307 -0.868850 0.226289
C 2.840927 0.254171 -0.124763
C -1.954633 -1.175340 -0.311983
C 4.267075 0.477502 0.049669
C 1.951774 1.224561 -0.719609
C -2.625926 -0.296716 -1.180448
C -2.547071 -1.525233 0.912765
C -4.463150 -0.136586 0.384836
C -3.871692 0.217805 -0.844976
C -3.789974 -1.020070 1.267699
C 4.997020 1.159793 -0.943427
C 4.930913 0.016135 1.200524
C 6.369533 1.353143 -0.792680
C 6.308026 0.211656 1.338680
C 7.032010 0.872862 0.343686
C -6.579510 1.229340 0.050300
C -7.840959 1.587516 0.776464
H -2.165767 -0.013345 -2.137061
H -2.026464 -2.210120 1.594315
H -4.387028 0.901322 -1.532935
H -4.235001 -1.302288 2.218999
H 1.819191 -2.830666 0.881575
H 3.459206 -2.237533 0.936215
H 4.482031 1.544175 -1.824282
H 4.372509 -0.457142 2.003230
H 6.928891 1.881553 -1.563767
H 6.816416 -0.147347 2.231972
H -6.043522 0.055551 1.723581
H 8.103019 1.022259 0.453597
H -8.466277 0.712921 1.004309
H -8.455752 2.258877 0.148944
H -7.652768 2.125362 1.716694


%chk=000249346-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249346

0 1
S -0.330200 -1.565817 -0.439485
O 0.765784 1.182984 0.291933
O -0.084006 -2.950416 0.427356
O -0.025110 -1.517154 -2.045677
O 2.338235 2.724349 -0.603326
O -6.592493 1.494534 -1.333845
N 0.840102 -0.123431 0.864781
N 2.490428 -1.826828 1.120834
N -6.016416 0.271948 0.587867
C 2.213293 -0.540567 0.748462
C 3.038146 0.483170 0.250192
C -2.077658 -0.995276 -0.144359
C 4.498035 0.482769 0.092587
C 2.180076 1.596903 -0.117186
C -2.701906 -0.210548 -1.129210
C -2.702505 -1.359740 1.061990
C -4.690370 -0.131189 0.296141
C -4.024635 0.221500 -0.912740
C -4.021348 -0.924933 1.273144
C 5.123778 1.321351 -0.877239
C 5.328659 -0.344581 0.907677
C 6.523359 1.308293 -1.040182
C 6.728241 -0.350856 0.740544
C 7.334042 0.467958 -0.240917
C -6.895345 1.041818 -0.195702
C -8.251754 1.278011 0.464064
H -2.174180 0.044741 -2.053419
H -2.181413 -1.979615 1.797137
H -4.547023 0.826121 -1.655271
H -4.535282 -1.202137 2.201624
H 1.698910 -2.483780 1.216508
H 3.417416 -2.205333 0.932982
H 4.506968 1.978733 -1.497195
H 4.890076 -0.930471 1.724204
H 6.983886 1.955692 -1.794446
H 7.348100 -0.984010 1.385124
H -6.381902 -0.037533 1.492251
H 8.421315 0.459417 -0.373111
H -8.770108 0.323597 0.672144
H -8.873434 1.876042 -0.216860
H -8.143260 1.826186 1.418321


