%chk=000153415.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153415

0 1
 S    7.744800       1.174800     -0.4156000    
 O   -8.874400     -0.3127000     -0.6413000    
 O    8.038200       1.359400      -2.013500    
 O    6.990100       2.342800      1.4900000E-02
 O    8.996600      0.8197000      0.2350000    
 N    2.641100     -0.8382000      0.8564000    
 N   -2.933600     -0.4114000      0.6856000    
 N    3.088400      -1.005200     -0.3007000    
 N   -3.330600     -0.5146000     -0.4970000    
 C   0.6602000      0.5922000      0.6665000    
 C  -0.7503000      0.7001000      0.6228000    
 C    1.247900     -0.6755000      0.8078000    
 C   -1.531400     -0.4628000      0.7217000    
 C    1.441400       1.755100      0.5677000    
 C   -1.338000       1.967800      0.4816000    
 C   0.4564000      -1.820300      0.9046000    
 C  -0.9306000      -1.714100      0.8617000    
 C   0.8405000       3.006400      0.4278000    
 C  -0.5464000       3.112600      0.3849000    
 C    6.697600     -0.2171000     -0.2993000    
 C    4.483600      -1.168000     -0.2526000    
 C    5.313100     -5.4800000E-02 -0.3465000    
 C    7.245900      -1.491900     -0.1585000    
 C    5.025100      -2.442000     -0.1120000    
 C   -4.734700     -0.4635000     -0.5336000    
 C    6.409700      -2.604500     -6.4800002E-02
 C   -7.514600     -0.3621000     -0.6069000    
 C   -5.377400      0.7627000     -0.6721000    
 C   -5.471400      -1.639500     -0.4315000    
 C   -6.770800      0.8135000     -0.7088000    
 C   -6.864900      -1.588600     -0.4683000    
 C   -9.494100      0.8684000     -0.1348000    
 C   -10.85730      0.5114000      0.4185000    
 H    2.527400       1.716800      0.6025000    
 H   -2.417200       2.095200      0.4492000    
 H   0.9123000      -2.801000       1.015300    
 H   -1.536300      -2.613600      0.9397000    
 H    1.455900       3.898300      0.3539000    
 H   -1.013300       4.087400      0.2776000    
 H    4.872800      0.9318000     -0.4647000    
 H    8.321000      -1.644200     -0.1271000    
 H    4.380900      -3.314200     -3.9600000E-02
 H    6.836400      -3.597400      4.2800002E-02
 H   -4.805500       1.682500     -0.7598000    
 H   -4.973100      -2.599200     -0.3239000    
 H   -7.236100       1.785100     -0.8457000    
 H   -7.439100      -2.507600     -0.3882000    
 H   -9.602800       1.594800     -0.9477000    
 H   -8.914500       1.315300      0.6826000    
 H   -11.36680       1.397800      0.8069000    
 H   -11.48170      5.7599999E-02 -0.3581000    
 H   -10.76610     -0.2251000       1.223800    
 H    7.245000       1.540000      -2.570900    


%chk=000153415-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153415

0 1
S 7.740692 -0.791449 -3.260335
O -9.140806 0.292409 -0.303169
O 7.851432 -2.627221 -2.987408
O 6.753315 -0.516745 -4.511820
O 9.238961 -0.180548 -3.247017
N 2.812425 0.126809 0.686356
N -2.880776 0.280193 0.798419
N 3.398320 -0.123876 -0.464195
N -3.509936 0.108759 -0.347234
C 0.720244 0.380183 1.907487
C -0.728125 0.420082 1.932862
C 1.395031 0.142919 0.646262
C -1.462039 0.223356 0.699290
C 1.441378 0.575689 3.129455
C -1.397606 0.653539 3.178632
C 0.639498 -0.047902 -0.538024
C -0.763252 -0.008116 -0.512526
C 0.761651 0.801089 4.328470
C -0.667489 0.840278 4.353769
C 6.876013 -0.418551 -1.639131
C 4.827050 -0.114267 -0.403913
C 5.477447 -0.421047 -1.629438
C 7.679495 -0.131350 -0.523993
C 5.606203 0.177889 0.754300
C -4.922742 0.162636 -0.269026
C 7.011949 0.171982 0.689077
C -7.752043 0.235414 -0.372819
C -5.607066 -0.018322 -1.502089
C -5.681942 0.381515 0.924860
C -7.011252 0.015808 -1.565850
C -7.076881 0.416932 0.870614
C -9.919419 0.117588 -1.553174
C -11.392207 0.232673 -1.174008
H 2.532900 0.542368 3.094141
H -2.489835 0.679646 3.176109
H 1.182584 -0.223496 -1.471340
H -1.350172 -0.152121 -1.423983
H 1.324224 0.949119 5.256894
H -1.188474 1.017649 5.300974
H 4.885148 -0.634655 -2.524388
H 8.770815 -0.129183 -0.602788
H 5.082234 0.412682 1.685228
H 7.602998 0.402830 1.581227
H -5.006740 -0.184487 -2.402500
H -5.147934 0.519599 1.869194
H -7.512845 -0.126156 -2.526673
H -7.682271 0.582955 1.766969
H -9.687889 -0.875806 -1.987291
H -9.622811 0.903546 -2.276462
H -12.023310 0.106619 -2.072267
H -11.668731 -0.543977 -0.441155
H -11.606398 1.220497 -0.732366
H 8.288282 -3.025575 -3.795906


