%chk=000218105.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218105

0 1
S -5.090877 -0.001520 -0.567528
O 5.599730 -0.936666 -0.662362
O 8.175894 -1.402872 0.716106
N 1.617230 0.037126 -0.010086
N -2.069559 0.383125 -0.473350
C 4.529266 -0.183034 -0.033478
C 3.770600 0.606472 -1.109248
C 3.642372 -1.281172 0.567060
C 2.455393 1.161189 -0.545202
C 2.328211 -0.689765 1.093970
C 0.282375 0.534188 0.450719
C -0.638910 0.638740 -0.789285
C -2.837902 1.437094 0.101847
C -2.516865 -0.973088 -0.436484
C 6.813738 -0.213594 -0.922258
C -4.246806 1.356658 0.140629
C -3.895179 -1.270901 -0.434943
C 7.658383 -0.117999 0.352708
C -2.224585 2.600723 0.613863
C -1.601547 -2.047767 -0.435084
C -5.019558 2.380113 0.682433
C -4.355262 -2.585531 -0.400449
C -3.006082 3.635196 1.133372
C -2.068153 -3.363050 -0.425588
C -4.398370 3.532722 1.175949
C -3.438049 -3.640832 -0.400339
H 4.950999 0.483261 0.746133
H 4.389210 1.426051 -1.512543
H 3.560908 -0.069135 -1.966185
H 3.434228 -2.042854 -0.215401
H 4.178243 -1.815454 1.371992
H 2.666926 1.941876 0.217445
H 1.885191 1.653737 -1.362985
H 1.667918 -1.517824 1.436591
H 2.526744 -0.045391 1.977466
H -0.154398 -0.187188 1.178031
H 0.325118 1.508156 0.984066
H -0.554470 1.641571 -1.263046
H -0.310979 -0.090681 -1.571977
H 6.602855 0.773297 -1.362420
H 7.302083 -0.861532 -1.679540
H 8.570404 0.490751 0.206095
H 7.078313 0.279749 1.205238
H -1.142608 2.709650 0.616500
H -0.525340 -1.870174 -0.451197
H -6.107308 2.291259 0.718365
H -5.426457 -2.795227 -0.380825
H -2.517624 4.531504 1.516175
H -1.349640 -4.183265 -0.433693
H -4.997409 4.339949 1.589480
H -3.789800 -4.669222 -0.383200
H 7.446202 -2.065519 0.697567


%chk=000218105-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218105

0 1
S -4.981340 -0.208220 -0.785662
O 5.372530 -1.424991 -0.477745
O 7.822552 -1.916698 0.910500
N 1.543129 0.352760 0.096915
N -2.025887 0.669110 -0.446055
C 4.378653 -0.403080 -0.078752
C 3.596203 0.119076 -1.300975
C 3.420739 -1.073206 0.916530
C 2.451904 1.050514 -0.849951
C 2.277710 -0.112167 1.303085
C 0.343968 1.157754 0.435926
C -0.685617 1.217213 -0.743156
C -2.970123 1.510622 0.213074
C -2.215006 -0.746311 -0.533045
C 6.649286 -0.879679 -0.990418
C -4.361267 1.202763 0.207568
C -3.520330 -1.307166 -0.619532
C 7.618240 -0.663498 0.181245
C -2.559841 2.692147 0.892513
C -1.103348 -1.634732 -0.543601
C -5.293239 2.022605 0.872629
C -3.712967 -2.700821 -0.682249
C -3.500245 3.536948 1.521584
C -1.299500 -3.029449 -0.651264
C -4.871435 3.205301 1.523683
C -2.600308 -3.573502 -0.711244
H 4.896088 0.447840 0.421825
H 4.263813 0.664864 -1.995110
H 3.176207 -0.748318 -1.842197
H 2.998312 -1.978465 0.443033
H 3.972647 -1.386398 1.821845
H 2.881557 1.975333 -0.379401
H 1.872853 1.378062 -1.732157
H 1.562989 -0.632822 1.966186
H 2.697873 0.752434 1.881301
H -0.146832 0.685922 1.306480
H 0.628779 2.194067 0.749214
H -0.826696 2.257253 -1.085360
H -0.276699 0.640581 -1.591072
H 6.490841 0.054025 -1.568059
H 7.040582 -1.662124 -1.663267
H 8.612659 -0.355426 -0.186718
H 7.231710 0.129209 0.859524
H -1.499642 2.954541 0.940809
H -0.083209 -1.238269 -0.466107
H -6.352603 1.744182 0.861259
H -4.732340 -3.098905 -0.730270
H -3.151893 4.446379 2.023283
H -0.425400 -3.689881 -0.673720
H -5.603655 3.849133 2.020961
H -2.753665 -4.655222 -0.780384
H 6.926061 -2.338387 0.997601


