%chk=000289113.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289113

0 1
S -0.220128 -3.000792 0.247219
O -5.418884 1.116520 -0.037990
O -3.833378 2.581616 -0.176868
N 1.091152 1.220694 0.192647
N -4.242193 1.434741 -0.079211
C 1.538022 -0.986803 -0.219189
C 0.517360 -0.053521 -0.019503
C 2.793031 -0.288778 -0.131325
C -0.911667 -0.325745 0.005599
C 2.486594 1.090088 0.130788
C 1.335292 -2.416424 -0.498645
C -1.343253 -1.665238 0.125682
C 4.142665 -0.680286 -0.246886
C -1.874168 0.688287 -0.075297
C 3.497005 2.065202 0.277943
C -2.702327 -1.988486 0.200688
C -3.234569 0.355273 -0.002970
C 5.127472 0.278434 -0.101889
C -3.658462 -0.975350 0.141039
C 4.805802 1.639458 0.158457
H 1.320518 -2.612783 -1.593263
H 2.146692 -3.043944 -0.068590
H 0.585788 2.061516 0.396600
H -1.588527 1.737700 -0.198202
H 4.389111 -1.720519 -0.446187
H 3.246645 3.102270 0.476210
H -3.022912 -3.029205 0.300240
H 6.177092 0.001768 -0.185804
H -4.728582 -1.204465 0.197785
H 5.622110 2.354269 0.264323


%chk=000289113-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289113

0 1
S -0.230880 -3.133711 0.294754
O -5.474578 1.172052 -0.005675
O -3.764544 2.671899 -0.211302
N 1.091789 1.186919 0.177500
N -4.216987 1.465106 -0.077916
C 1.566683 -1.010726 -0.211545
C 0.529698 -0.086755 -0.020447
C 2.816296 -0.289855 -0.127084
C -0.902207 -0.364772 -0.003655
C 2.486000 1.091979 0.123622
C 1.350303 -2.458301 -0.532140
C -1.363875 -1.718586 0.128713
C 4.182512 -0.665523 -0.239436
C -1.866965 0.667321 -0.084324
C 3.475258 2.087233 0.276463
C -2.750393 -1.997560 0.208763
C -3.240231 0.363180 -0.000201
C 5.171073 0.324317 -0.089088
C -3.701154 -0.963506 0.153485
C 4.821424 1.684781 0.166916
H 1.250931 -2.647025 -1.615852
H 2.156306 -3.097440 -0.134590
H 0.570738 2.027050 0.419686
H -1.581393 1.713748 -0.226692
H 4.465356 -1.705437 -0.437477
H 3.214189 3.133344 0.469757
H -3.083721 -3.035372 0.308727
H 6.229186 0.052676 -0.168816
H -4.774010 -1.161581 0.212592
H 5.616495 2.430040 0.278662


