%chk=000211876.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211876

0 1
S -0.787969 0.461448 0.436973
O -1.224978 0.153272 1.786347
O -1.146038 1.735397 -0.165974
N -1.406337 -0.770633 -0.591220
C -2.574117 -1.569850 -0.117299
C -3.927612 -0.936884 -0.518128
C -2.455380 -2.982392 -0.708672
C 0.918693 0.251970 0.305183
C -4.185048 0.397301 0.171332
C 1.677488 1.159878 -0.442417
C 1.549736 -0.813861 0.955106
C 3.696084 -0.071448 0.100517
C 3.058709 1.001190 -0.548402
C 2.931449 -0.979472 0.853497
C 5.172002 -0.252520 -0.021236
H -2.518505 -1.638463 1.005723
H -3.983662 -0.810389 -1.616002
H -4.739470 -1.646615 -0.261446
H -1.481389 -0.545885 -1.590605
H -1.472256 -3.416684 -0.487469
H -2.569458 -2.987044 -1.797581
H -3.215019 -3.650375 -0.289902
H -3.988534 0.347072 1.251447
H -3.552933 1.203318 -0.230921
H -5.225010 0.716711 0.044199
H 1.184804 2.004073 -0.941038
H 0.962493 -1.519180 1.552158
H 3.642751 1.710754 -1.131086
H 3.416198 -1.810921 1.361082
H 5.703074 0.699458 -0.161568
H 5.611376 -0.735150 0.863075
H 5.415455 -0.887073 -0.887973


%chk=000211876-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211876

0 1
S -0.821629 0.491325 0.484307
O -1.256793 -0.015540 1.973400
O -1.155013 1.995939 -0.063653
N -1.500754 -0.772343 -0.742343
C -2.641297 -1.598502 -0.222468
C -4.039426 -0.980523 -0.492375
C -2.496382 -3.002367 -0.853867
C 1.037605 0.246379 0.324163
C -4.297636 0.367529 0.214754
C 1.741841 1.089303 -0.548490
C 1.651609 -0.741603 1.109397
C 3.811680 -0.079264 0.115485
C 3.140547 0.914584 -0.644291
C 3.050492 -0.893695 0.996684
C 5.310968 -0.275011 -0.015555
H -2.487777 -1.673842 0.873138
H -4.173844 -0.869878 -1.589990
H -4.797909 -1.718464 -0.163276
H -1.769567 -0.189734 -1.561542
H -1.492617 -3.413139 -0.655324
H -2.641962 -2.960508 -1.949157
H -3.254362 -3.688052 -0.431945
H -4.150097 0.275632 1.305956
H -3.619111 1.164779 -0.141456
H -5.333725 0.706863 0.033751
H 1.218094 1.872602 -1.105767
H 1.060126 -1.347330 1.803061
H 3.716776 1.563812 -1.313352
H 3.557324 -1.651832 1.604854
H 5.813174 0.647781 -0.353246
H 5.765278 -0.582144 0.942580
H 5.540984 -1.065754 -0.755736


