%chk=000108733.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000108733

0 1
S -5.060687 -0.852887 0.296344
O -0.052967 -3.283652 0.260720
O -4.053473 -1.724374 1.321321
O -6.411247 -1.070229 0.722402
O -4.643597 -1.245058 -1.031092
N -0.728588 -1.430356 -0.978677
C -1.725367 -0.359720 -1.203510
C -2.099026 0.402991 0.079963
C 0.559999 -1.152587 -0.425514
C -3.368171 1.247663 -0.107633
C -1.131496 -2.717744 -0.479667
C 0.969158 -2.322761 0.285356
C -4.554482 0.764355 0.727760
C 1.412052 -0.066282 -0.528401
C 2.680516 -0.177997 0.087712
C 2.201329 -2.445469 0.892370
C -2.251436 -3.415757 -0.657139
C 3.061344 -1.336860 0.777755
C 3.622298 0.961141 -0.005460
C 3.271853 2.210930 0.528874
C 4.868694 0.793025 -0.628902
C 4.164552 3.282194 0.440301
C 5.754912 1.869602 -0.717118
C 5.405435 3.114105 -0.182798
H -2.637372 -0.830187 -1.664381
H -1.305965 0.334768 -1.965678
H -2.218791 -0.312182 0.923618
H -1.254893 1.050619 0.388240
H -3.149143 2.301002 0.169070
H -3.656591 1.287862 -1.180725
H -5.395391 1.486983 0.639346
H -4.290720 0.814158 1.810805
H 1.135908 0.832140 -1.073116
H 2.493483 -3.345400 1.427082
H -2.370332 -4.425275 -0.299794
H -3.658763 -2.547531 0.956900
H -3.082386 -3.059446 -1.254770
H 4.046387 -1.385347 1.243114
H 2.308638 2.341132 1.018375
H 5.139716 -0.174801 -1.048666
H 3.893181 4.250069 0.858724
H 6.720271 1.738201 -1.203853
H 6.098454 3.950463 -0.251554


%chk=000108733-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108733

0 1
S -5.160053 -0.980895 0.311662
O -0.045991 -3.357037 0.165832
O -3.910159 -1.875407 1.280466
O -6.635010 -1.285468 0.889612
O -4.869966 -1.195411 -1.284783
N -0.802880 -1.381198 -0.693370
C -1.751166 -0.316025 -1.062720
C -2.127277 0.582400 0.153720
C 0.546302 -1.178374 -0.321399
C -3.476479 1.334877 -0.051037
C -1.172912 -2.703654 -0.403088
C 1.009783 -2.405831 0.206635
C -4.641106 0.829174 0.803564
C 1.397254 -0.067797 -0.412410
C 2.741496 -0.213464 0.044651
C 2.312976 -2.586220 0.665224
C -2.385067 -3.345001 -0.549552
C 3.174564 -1.463538 0.574864
C 3.685249 0.940365 -0.030087
C 3.229952 2.273557 0.167413
C 5.065886 0.738112 -0.306530
C 4.120957 3.365078 0.091085
C 5.958878 1.828197 -0.379609
C 5.491398 3.148347 -0.182534
H -2.662184 -0.786213 -1.469661
H -1.303575 0.290313 -1.872263
H -2.198287 -0.060415 1.049760
H -1.315599 1.308170 0.342241
H -3.355727 2.402303 0.221802
H -3.775963 1.323955 -1.116657
H -5.576714 1.391451 0.647974
H -4.411287 0.722300 1.875245
H 1.061156 0.874501 -0.854882
H 2.648732 -3.539052 1.081198
H -2.423343 -4.410871 -0.313749
H -3.368648 -2.549949 0.660244
H -3.128712 -2.950671 -1.250496
H 4.196688 -1.553920 0.955068
H 2.177816 2.454491 0.416840
H 5.435971 -0.275776 -0.496381
H 3.749321 4.382555 0.256415
H 7.016757 1.648722 -0.601537
H 6.184264 3.994823 -0.241066


