%chk=000181958.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181958

0 1
S -0.448229 -0.386491 -2.105422
P -0.263947 -0.573982 -0.230764
O 0.930103 -1.503865 0.361827
O -0.027951 0.803897 0.662314
O -1.548675 -1.195574 0.606753
C 1.365249 -2.701528 -0.387210
C 2.647533 -3.065239 0.370517
C 3.771545 -2.057816 0.098571
C 0.291065 -3.772129 -0.291845
C 5.039555 -2.402448 0.872495
C 0.978541 1.666575 0.206902
C -2.768088 -0.519932 0.437581
C 2.328363 1.309744 0.298861
C -3.009385 0.660097 1.151416
C 0.553099 2.928883 -0.225912
C -3.736321 -1.139899 -0.360241
C 3.282378 2.266305 -0.057685
C -4.279348 1.233350 1.054641
C 1.528832 3.865635 -0.573417
C -4.998065 -0.543942 -0.437923
C 2.887523 3.537292 -0.490465
C -5.269119 0.635872 0.264647
H 1.575851 -2.408191 -1.441800
H 2.968967 -4.087306 0.095014
H 2.428556 -3.095098 1.459352
H 3.418348 -1.036327 0.382516
H 3.991179 -2.012686 -0.985889
H -0.180672 -3.781635 0.703476
H -0.512453 -3.635193 -1.027993
H 0.700919 -4.775135 -0.461089
H 5.835541 -1.676045 0.671939
H 5.424836 -3.392103 0.601504
H 4.864847 -2.404465 1.955077
H 2.632153 0.310462 0.641349
H -2.225484 1.110040 1.762999
H -0.508854 3.157982 -0.286569
H -3.504031 -2.055190 -0.900101
H 4.341711 2.017864 0.003841
H -4.498506 2.151446 1.599333
H 1.227775 4.855955 -0.914783
H -5.772485 -1.001806 -1.052963
H 3.639867 4.273602 -0.766629
H -6.254623 1.092724 0.195176


%chk=000181958-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181958

0 1
S -0.459766 -0.429175 -2.369984
P -0.315007 -0.540860 -0.320367
O 0.901929 -1.541184 0.355941
O -0.026463 0.932724 0.583866
O -1.703819 -1.093571 0.576895
C 1.349828 -2.787589 -0.377732
C 2.734868 -3.100179 0.206572
C 3.809545 -2.043071 -0.128730
C 0.312839 -3.896596 -0.169672
C 5.176923 -2.374426 0.505420
C 1.076301 1.790141 0.282536
C -2.992727 -0.492860 0.433516
C 2.259478 1.653982 1.040034
C -3.212687 0.849719 0.813058
C 0.927659 2.802026 -0.689807
C -4.044711 -1.320802 -0.010644
C 3.317830 2.563566 0.819028
C -4.524680 1.367802 0.739271
C 1.997400 3.700813 -0.903545
C -5.353053 -0.789983 -0.069156
C 3.190477 3.585078 -0.152319
C -5.595854 0.553335 0.301660
H 1.430935 -2.521812 -1.452199
H 3.047520 -4.089673 -0.186095
H 2.636416 -3.208857 1.304779
H 3.460707 -1.053118 0.218991
H 3.918512 -1.967827 -1.229729
H 0.185062 -4.110736 0.905470
H -0.669151 -3.610321 -0.585699
H 0.644299 -4.820247 -0.678888
H 5.932362 -1.608200 0.252919
H 5.557111 -3.351841 0.151695
H 5.101694 -2.424422 1.608253
H 2.330933 0.855824 1.785326
H -2.371626 1.459665 1.156299
H -0.002016 2.876111 -1.262009
H -3.832352 -2.355511 -0.295688
H 4.238822 2.473798 1.405358
H -4.709281 2.407631 1.030620
H 1.896583 4.490639 -1.655792
H -6.178454 -1.424831 -0.409209
H 4.014500 4.286663 -0.321215
H -6.610788 0.961872 0.250373


