%chk=000187726.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187726

0 1
S -0.387188 0.375853 0.851348
O -1.522201 -3.527342 0.971957
O 0.236445 1.621865 0.431884
O -0.405418 0.042987 2.261193
O -1.818765 3.485257 0.034270
O -1.127443 2.719258 -1.993803
N 0.368677 -0.943228 0.051905
C -0.235847 -3.304932 0.303313
C 0.603055 -2.165134 0.858883
C -0.473051 -4.534585 1.134902
C 1.284039 -0.780712 -1.118809
C 2.717043 -0.486901 -0.688178
C 0.762418 0.269292 -2.095421
C -2.012163 0.324992 0.230944
C 3.692917 -1.480947 -0.859001
C 3.080456 0.747000 -0.134098
C -2.541892 1.348534 -0.562224
C -2.814276 -0.771693 0.558688
C 5.015850 -1.242338 -0.476754
C 4.403722 0.982807 0.248964
C -3.856925 1.282246 -1.031563
C -4.132735 -0.847505 0.090986
C 5.373581 -0.010123 0.079507
C -4.652193 0.176589 -0.702396
C -1.717803 2.544708 -0.954587
C -0.898420 4.611802 -0.052583
H -0.311724 -3.357149 -0.788104
H 1.679459 -2.459943 0.855902
H 0.344283 -1.987328 1.937424
H -0.084499 -4.611884 2.148058
H -0.696043 -5.490045 0.665797
H 1.268549 -1.775486 -1.654179
H 0.780639 1.298457 -1.690839
H -0.268344 0.073140 -2.412873
H 1.383006 0.295720 -3.000141
H 3.427617 -2.440759 -1.297380
H 2.324700 1.532050 0.001437
H -2.421066 -1.587255 1.185740
H 5.768445 -2.016194 -0.613689
H 4.677147 1.944339 0.681028
H -4.263128 2.084799 -1.648463
H -4.747663 -1.709971 0.350830
H 6.403167 0.175598 0.378192
H -5.678948 0.121225 -1.067398
H -0.916815 5.043549 -1.057094
H -1.289451 5.296976 0.705145
H 0.102585 4.238812 0.204679


%chk=000187726-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187726

0 1
S -0.401492 0.680746 0.592443
O -1.230786 -3.468625 1.087999
O 0.416710 1.940731 -0.057862
O -0.567350 0.585889 2.210442
O -1.915788 3.247265 0.846493
O -2.372500 4.053982 -1.302782
N 0.319759 -1.009860 0.044498
C 0.265038 -3.249562 1.042743
C 0.734338 -1.814281 1.220275
C -0.342069 -4.011360 2.182244
C 1.230224 -1.051173 -1.154440
C 2.719781 -0.801418 -0.869261
C 0.692043 -0.212371 -2.335661
C -2.120149 0.551204 -0.253099
C 3.648047 -1.852400 -1.081948
C 3.200401 0.455042 -0.415615
C -2.771980 1.710646 -0.728543
C -2.649622 -0.740973 -0.400371
C 5.030520 -1.659431 -0.855434
C 4.580444 0.647118 -0.184978
C -3.970882 1.530993 -1.465111
C -3.873729 -0.886708 -1.095198
C 5.500578 -0.405669 -0.404037
C -4.518550 0.243841 -1.646780
C -2.315895 3.117762 -0.473748
C -1.245545 4.514031 1.220880
H 0.747640 -3.825684 0.241010
H 1.834337 -1.800402 1.371323
H 0.264004 -1.373371 2.119532
H -0.459567 -3.512552 3.152285
H -0.262532 -5.104766 2.209699
H 1.137908 -2.115295 -1.466483
H 0.780522 0.869029 -2.146918
H -0.366812 -0.457269 -2.532440
H 1.278030 -0.452820 -3.239408
H 3.288867 -2.828111 -1.436723
H 2.491342 1.273444 -0.242952
H -2.117328 -1.611518 -0.005131
H 5.734043 -2.481833 -1.028038
H 4.939118 1.621553 0.165751
H -4.464847 2.420453 -1.869398
H -4.305171 -1.885995 -1.211987
H 6.570374 -0.250095 -0.224345
H -5.451310 0.125096 -2.207724
H -1.790312 5.375915 0.801741
H -1.251402 4.523609 2.319094
H -0.214650 4.481598 0.831364


