%chk=000186416.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186416

0 1
S -0.838005 1.853445 -0.027668
O 0.934375 -1.000558 -3.548084
O -1.747478 2.690115 -0.797135
O 0.010304 2.466118 0.975542
N 0.153848 1.041449 -1.173839
C -0.326846 -0.551752 -2.948643
C -0.369414 0.917119 -2.555710
C -0.258294 -0.953203 -4.394844
C 1.645680 1.030727 -1.079779
C 2.042317 0.108093 0.064190
C 2.246225 2.433073 -0.963882
C -1.762439 0.564329 0.673125
C 2.199329 -1.260102 -0.212320
C 2.253749 0.577528 1.367102
C -1.142419 -0.405042 1.460124
C -3.141608 0.515412 0.444452
C -1.899665 -1.447215 2.022815
C 2.573914 -2.143605 0.802394
C 2.633666 -0.308896 2.379620
C -3.900189 -0.514997 1.005519
C -3.283024 -1.493972 1.790624
C 2.795415 -1.668972 2.099873
C -1.235723 -2.482891 2.868961
H -0.717098 -1.250430 -2.199762
H -1.418439 1.297605 -2.625227
H 0.222340 1.532045 -3.274445
H -0.615054 -1.928305 -4.718449
H -0.214438 -0.208198 -5.185433
H 2.036720 0.570553 -2.038843
H 3.340512 2.386435 -0.920882
H 1.973814 3.062250 -1.817476
H 1.913872 2.961449 -0.053433
H 2.025248 -1.631813 -1.224969
H 2.097432 1.637616 1.597528
H -0.063587 -0.364966 1.648019
H -3.626975 1.284335 -0.167215
H 2.699273 -3.201606 0.580692
H 2.803741 0.065382 3.387715
H -4.974945 -0.554656 0.833370
H -3.880615 -2.294830 2.225713
H 3.098047 -2.355707 2.887204
H -0.155833 -2.556687 2.670187
H -1.348922 -2.246526 3.937906
H -1.658414 -3.483746 2.709466


%chk=000186416-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186416

0 1
S -1.001799 1.641969 -0.140706
O 1.141436 -0.453862 -4.223249
O -2.196249 2.361252 -1.003941
O -0.129610 2.498121 0.943530
N 0.106406 0.739072 -1.464676
C -0.234628 -0.011716 -3.753675
C -0.259572 1.192999 -2.833144
C 0.141319 0.125923 -5.196348
C 1.587059 0.762433 -1.160359
C 1.894225 -0.120372 0.054824
C 2.238496 2.165946 -1.131272
C -1.810612 0.199505 0.777426
C 1.586810 -1.504402 -0.018652
C 2.507327 0.377715 1.230404
C -1.191457 -0.281814 1.936787
C -3.027467 -0.282408 0.269476
C -1.820828 -1.335710 2.652082
C 1.888265 -2.371823 1.052079
C 2.811394 -0.488696 2.306794
C -3.646071 -1.332363 0.983573
C -3.045457 -1.851195 2.155115
C 2.505796 -1.865998 2.221664
C -1.186041 -1.880422 3.918167
H -0.869442 -0.851690 -3.444467
H -1.282321 1.620126 -2.794314
H 0.415803 1.979719 -3.226487
H -0.255996 -0.587129 -5.928456
H 0.406928 1.115507 -5.589738
H 1.984555 0.229817 -2.052925
H 3.336334 2.066443 -1.059970
H 2.020500 2.718530 -2.062443
H 1.871479 2.764502 -0.282643
H 1.105308 -1.892863 -0.923501
H 2.743559 1.442156 1.315591
H -0.247185 0.151390 2.284172
H -3.479723 0.167129 -0.619612
H 1.651014 -3.438876 0.973848
H 3.289270 -0.087103 3.207615
H -4.599054 -1.739854 0.629834
H -3.540450 -2.664743 2.698446
H 2.755613 -2.539249 3.050052
H -0.141518 -2.189988 3.732621
H -1.160976 -1.111473 4.712960
H -1.742043 -2.750099 4.307622


