%chk=000189723.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189723

0 1
S 3.170638 2.347192 -1.822822
O 0.197634 -2.099385 1.866995
O 1.435313 -3.696971 0.872314
O -5.216797 -1.529445 -0.191610
O -3.987894 -1.523480 1.585989
N 3.101935 -0.419736 -1.480601
N -4.151889 -1.370739 0.384655
C 0.692661 -0.145614 0.146192
C 1.420201 1.024084 -0.450869
C 1.075375 2.428779 -0.312480
C -0.095179 2.895750 0.487457
C 1.525943 -1.413920 0.059030
C 2.533531 0.831114 -1.231081
C 0.257637 3.274969 1.948418
C -0.641884 -0.371188 -0.551421
C 2.618694 -1.532174 -0.762768
C 1.919718 3.249257 -1.003597
C 1.001911 2.144655 2.664721
C 1.063707 4.577004 2.005158
C -1.754624 -0.747158 0.211927
C -0.775903 -0.229576 -1.940997
C 1.101451 -2.527438 0.906175
C 3.414945 -2.772311 -0.974974
C -2.983132 -0.965814 -0.424979
C -2.009789 -0.447014 -2.564865
C -3.125506 -0.816004 -1.813185
C -0.303850 -3.112770 2.780340
H 0.504606 0.080675 1.242710
H -0.565276 3.771342 -0.008134
H -0.883837 2.113433 0.498568
H -0.715469 3.444152 2.478497
H 3.918738 -0.499234 -2.077972
H 1.884250 4.321103 -1.080689
H 1.042165 2.314625 3.745220
H 2.035558 2.052547 2.308488
H 0.519554 1.168499 2.497309
H 1.284485 4.859814 3.040465
H 2.024026 4.478606 1.484936
H 0.522118 5.409244 1.545095
H -1.665051 -0.892071 1.297430
H 0.091798 0.053980 -2.541074
H 2.888670 -3.672785 -0.578357
H 4.378488 -2.739846 -0.443940
H 3.613094 -2.985831 -2.033673
H -2.099760 -0.330121 -3.645057
H -4.096627 -0.990791 -2.285696
H -1.209378 -2.647908 3.185916
H 0.452073 -3.286607 3.551018
H -0.529076 -4.040090 2.241221


%chk=000189723-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189723

0 1
S 3.104804 2.381873 -1.960222
O 0.180954 -2.237085 1.844625
O 1.779208 -3.698213 0.980548
O -5.400588 -1.443484 -0.323839
O -4.180767 -1.252383 1.591809
N 3.005092 -0.409568 -1.555403
N -4.291891 -1.229578 0.304153
C 0.647013 -0.167405 0.147153
C 1.374799 1.036315 -0.436664
C 1.027405 2.440751 -0.273108
C -0.100060 2.953039 0.608538
C 1.548527 -1.423319 0.077983
C 2.444908 0.845342 -1.294083
C 0.320332 3.422066 2.043712
C -0.697121 -0.420849 -0.572727
C 2.617439 -1.525999 -0.811484
C 1.842214 3.275961 -1.022565
C 0.958190 2.287399 2.878298
C 1.243073 4.662040 2.004291
C -1.865133 -0.686581 0.175438
C -0.783323 -0.411303 -1.989653
C 1.231607 -2.558686 0.952165
C 3.459992 -2.760733 -1.047055
C -3.077047 -0.942752 -0.498799
C -2.007364 -0.668161 -2.648195
C -3.175289 -0.940085 -1.906927
C -0.212114 -3.319134 2.772560
H 0.412371 0.017867 1.209134
H -0.594199 3.807565 0.107026
H -0.869360 2.163704 0.708821
H -0.624757 3.721327 2.544644
H 3.779630 -0.503732 -2.211241
H 1.799199 4.357662 -1.132366
H 1.220464 2.649689 3.889481
H 1.885335 1.917032 2.402388
H 0.266091 1.432863 2.998949
H 1.451265 5.023201 3.028498
H 2.210839 4.421276 1.527449
H 0.779217 5.493350 1.439739
H -1.836624 -0.716416 1.267105
H 0.113701 -0.189403 -2.578417
H 2.833254 -3.623884 -1.322581
H 3.984982 -3.060924 -0.124641
H 4.206566 -2.582098 -1.843400
H -2.052718 -0.655226 -3.742191
H -4.136993 -1.143964 -2.384412
H -1.100127 -2.934297 3.294755
H 0.605476 -3.530599 3.482802
H -0.448475 -4.239661 2.213313


