%chk=000283236.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000283236

0 1
S -0.907672 1.745971 -0.067876
O -0.606141 2.303427 -1.376525
O -0.621020 2.528521 1.130853
C -0.041564 0.235067 0.096987
C 1.300492 0.174362 0.102349
C -0.881357 -0.963675 0.249913
C 2.200158 1.345409 -0.048258
C 2.033066 -1.113117 0.261582
C -2.602222 1.355873 -0.043622
C -1.134348 -1.484711 1.529596
C -1.428934 -1.590961 -0.881935
C 3.076836 1.392092 -1.145705
C 2.818660 -1.321663 1.405508
C 2.213168 2.377131 0.901448
C 1.956719 -2.103213 -0.728520
C -3.274261 1.229422 1.174981
C -3.299253 1.218975 -1.247311
C -1.936127 -2.619785 1.672332
C -2.229329 -2.725403 -0.728630
C 3.955447 2.467294 -1.290806
C 3.517245 -2.521828 1.558657
C 3.101945 3.446251 0.753987
C 2.664502 -3.298143 -0.571879
C -4.642551 0.940419 1.191848
C -4.667323 0.930071 -1.234051
C -2.485922 -3.240714 0.546203
C 3.971600 3.493477 -0.339199
C 3.442642 -3.509573 0.570781
C -5.336392 0.787702 -0.013425
H -0.697772 -1.007644 2.405515
H -1.228435 -1.193746 -1.875406
H 3.063549 0.593670 -1.886633
H 2.884026 -0.547553 2.169637
H 1.508913 2.366801 1.741744
H 1.342120 -1.941914 -1.613411
H -2.734562 1.366472 2.117569
H -2.777006 1.350070 -2.201711
H -2.130270 -3.023515 2.665040
H -2.654243 -3.210364 -1.606251
H 4.625407 2.508662 -2.147568
H 4.123572 -2.686028 2.448158
H 3.102538 4.249936 1.489152
H 2.606044 -4.066788 -1.340895
H -5.165967 0.838842 2.140542
H -5.210331 0.821813 -2.170900
H -3.110166 -4.124241 0.661287
H 4.656838 4.331563 -0.454909
H 3.990532 -4.442482 0.691570
H -6.402852 0.561569 -0.001513


%chk=000283236-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000283236

0 1
S -0.961819 1.777103 0.233217
O -0.391713 2.719209 -0.978355
O -1.064126 2.336419 1.778183
C 0.014407 0.055591 0.284619
C 1.374761 0.086640 0.117553
C -0.858389 -1.065089 0.693624
C 2.210732 1.326896 0.064338
C 2.127735 -1.212361 0.019350
C -2.747817 1.348109 -0.259872
C -0.815416 -1.507631 2.045607
C -1.754794 -1.699768 -0.209278
C 3.209650 1.460983 -0.937983
C 3.341485 -1.375581 0.742425
C 2.081416 2.345191 1.047197
C 1.675519 -2.279245 -0.802458
C -3.671160 1.075732 0.760939
C -3.085011 1.437912 -1.619127
C -1.637615 -2.570872 2.475864
C -2.574804 -2.762108 0.222973
C 4.034865 2.602825 -0.980233
C 4.066066 -2.583924 0.667918
C 2.919233 3.479674 1.010572
C 2.408499 -3.481639 -0.887710
C -5.015257 0.847457 0.384913
C -4.433923 1.206019 -1.977082
C -2.519696 -3.200881 1.567110
C 3.893794 3.616928 -0.003135
C 3.602781 -3.642882 -0.147596
C -5.391309 0.905622 -0.978530
H -0.133118 -1.014380 2.745724
H -1.797937 -1.364184 -1.251275
H 3.324238 0.674754 -1.692492
H 3.709503 -0.553596 1.365627
H 1.324998 2.255250 1.834535
H 0.759239 -2.157689 -1.387903
H -3.348393 1.067550 1.806916
H -2.325516 1.713641 -2.358395
H -1.591452 -2.906081 3.517917
H -3.255857 -3.246220 -0.485417
H 4.786051 2.702771 -1.771580
H 4.992722 -2.697191 1.241324
H 2.803304 4.258607 1.771911
H 2.050348 -4.290422 -1.534236
H -5.764032 0.630975 1.154073
H -4.736530 1.272340 -3.027583
H -3.157670 -4.026009 1.903030
H 4.537851 4.503134 -0.032555
H 4.169565 -4.578392 -0.212023
H -6.435408 0.732612 -1.262341


