%chk=000187727.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187727

0 1
S -1.379723 -1.642789 0.500472
O 0.107157 2.342947 2.778902
O -1.953008 -2.176764 1.720091
O -1.108192 -2.526543 -0.620795
N 0.126687 -0.907162 0.868947
C 0.163772 1.403923 1.657868
C 0.198926 -0.059029 2.077035
C -1.055838 2.249485 1.894013
C 1.383772 -1.550318 0.384837
C 2.258453 -0.483666 -0.257652
C 2.105847 -2.350832 1.473301
C -2.359390 -0.311679 -0.018281
C 2.119566 -0.196427 -1.633099
C 3.198942 0.228190 0.499247
C 2.932727 0.788689 -2.218078
C -2.012527 0.420512 -1.156480
C -3.511391 0.016404 0.704554
C 1.116246 -0.898919 -2.489496
C 4.001146 1.207973 -0.090157
C 3.868260 1.486877 -1.453139
C -2.813487 1.489124 -1.571048
C -4.313984 1.083490 0.291731
C -3.963881 1.818938 -0.846475
H 0.880655 1.683640 0.876011
H -0.620095 -0.297392 2.796569
H 1.141769 -0.239162 2.650533
H -1.237108 3.140759 1.298670
H -1.944420 1.837457 2.365082
H 1.084695 -2.289554 -0.429116
H 3.044270 -2.769918 1.089476
H 1.490670 -3.189914 1.822981
H 2.353984 -1.745927 2.353637
H 3.311110 0.019005 1.562926
H 2.832766 1.009282 -3.279217
H -1.109149 0.161139 -1.732368
H -3.786933 -0.565525 1.593243
H 0.852907 -1.904554 -2.105954
H 1.462021 -1.032881 -3.521497
H 0.167163 -0.333111 -2.524608
H 4.726784 1.751434 0.511258
H 4.493270 2.247280 -1.918224
H -2.543997 2.060447 -2.458124
H -5.213007 1.337743 0.851714
H -4.591439 2.650326 -1.170791


%chk=000187727-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187727

0 1
S -1.410367 -1.664473 0.686161
O 0.187335 2.704096 2.549918
O -1.804150 -2.073043 2.222232
O -1.206968 -2.798420 -0.470265
N 0.178274 -0.575799 0.602290
C 0.542092 1.711311 1.462264
C 0.308024 0.254490 1.839736
C -0.599512 2.653189 1.257589
C 1.358889 -1.452185 0.223237
C 2.471476 -0.495319 -0.226084
C 1.764992 -2.483901 1.298524
C -2.734155 -0.450376 0.099484
C 2.396224 0.139694 -1.506807
C 3.577530 -0.225285 0.617261
C 3.437380 1.021096 -1.890529
C -2.828281 -0.181554 -1.275680
C -3.600528 0.084888 1.065562
C 1.234215 -0.111139 -2.450827
C 4.606578 0.657399 0.221482
C 4.535210 1.286077 -1.040476
C -3.846499 0.702325 -1.700573
C -4.611904 0.969046 0.620349
C -4.728820 1.279192 -0.754998
H 1.493595 1.927482 0.962372
H -0.613790 0.180568 2.447032
H 1.129357 -0.102357 2.489113
H -0.467641 3.524658 0.605240
H -1.626864 2.281230 1.358023
H 1.003091 -2.018782 -0.657593
H 2.652122 -3.049108 0.961466
H 0.942488 -3.202972 1.456391
H 2.004756 -2.027910 2.275500
H 3.644923 -0.716974 1.593082
H 3.385542 1.505204 -2.873214
H -2.152338 -0.665665 -1.987526
H -3.500094 -0.203653 2.117207
H 1.166343 -1.176566 -2.743952
H 1.339480 0.485044 -3.372952
H 0.276877 0.151236 -1.965640
H 5.452778 0.848912 0.890111
H 5.325806 1.972804 -1.362910
H -3.953619 0.932938 -2.765527
H -5.307331 1.404431 1.345277
H -5.516521 1.961169 -1.092853


