%chk=000123393.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123393

0 1
 S   -4.220700      -1.704300     -0.2394000    
 O   -2.692500       4.847600     -0.5891000    
 N    3.462600      0.2049000      0.4551000    
 N    6.124700     -0.2770000     -0.5642000    
 N   -1.346800     -0.9339000      0.6618000    
 C    4.653200      0.6150000       1.209600    
 C    3.760600     -0.9700000     -0.3729000    
 C    2.344400     -6.5300003E-02   1.356600    
 C    5.827100      0.8968000      0.2655000    
 C    4.933600     -0.6875000      -1.317800    
 C    1.050700     -0.3614000      0.5916000    
 C  -0.1704000     -0.6055000       1.477500    
 C    7.241900     -5.1000002E-03  -1.466600    
 C   -2.166600      0.1415000      0.2356000    
 C   -1.536700      -2.293800      0.3081000    
 C   -3.481300     -8.3300002E-02 -0.2183000    
 C   -2.789000      -2.760000     -0.1386000    
 C   -1.699300       1.473800      0.2107000    
 C  -0.4819000      -3.231800      0.3508000    
 C   -2.503300       2.532400     -0.2206000    
 C   -4.287700      0.9862000     -0.6467000    
 C   -2.969800      -4.108100     -0.4950000    
 C   -3.800000       2.288700     -0.6467000    
 C  -0.6659000      -4.569500     -9.4999997E-03
 C   -1.912200      -5.008900     -0.4297000    
 C   -1.983700       3.891000     -0.2147000    
 C  -0.5443000       4.160800      0.2584000    
 C  -0.1466000       5.626900      0.1883000    
 H    4.941300     -0.1565000       1.936700    
 H    4.438600       1.531000       1.773400    
 H    2.921900      -1.232100      -1.023600    
 H    3.986700      -1.846100      0.2497000    
 H    2.572900     -0.9016000       2.030200    
 H    2.166000      0.8152000       1.986900    
 H    6.703800       1.153300      0.8727000    
 H    5.596000       1.770100     -0.3598000    
 H    4.645400      8.3999999E-02  -2.045000    
 H    5.150700      -1.602800      -1.882000    
 H   0.8669000      0.4716000     -9.6299998E-02
 H    1.187000      -1.219300     -6.5499999E-02
 H  -0.3577000      0.2618000       2.124200    
 H   3.9500002E-02  -1.408200       2.197500    
 H    7.489600     -0.8979000      -2.051300    
 H    7.023800      0.8131000      -2.162400    
 H    8.140700      0.2568000     -0.8973000    
 H  -0.6968000       1.695500      0.5505000    
 H   0.5135000      -2.980000      0.6992000    
 H   -5.307500      0.8144000     -0.9858000    
 H   -3.939900      -4.471500     -0.8283000    
 H   -4.450500       3.090500     -0.9844000    
 H   0.1658000      -5.265700      4.7899999E-02
 H   -2.061400      -6.047900     -0.7068000    
 H   0.1440000       3.588800     -0.3735000    
 H  -0.4510000       3.828500       1.298100    
 H  -0.8008000       6.240900      0.8160000    
 H   0.8833000       5.759800      0.5335000    
 H  -0.2160000       6.003200     -0.8375000    


%chk=000123393-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000123393

0 1
S -4.498888 -1.615570 0.164467
O -2.441299 4.846748 -0.683039
N 3.485412 0.088315 0.440843
N 6.218758 0.163181 -0.541139
N -1.450941 -1.069371 0.729097
C 4.593691 0.634687 1.267407
C 4.004724 -0.957727 -0.478145
C 2.353675 -0.377695 1.275643
C 5.700716 1.209862 0.370429
C 5.120846 -0.388128 -1.368833
C 1.069713 -0.633224 0.458241
C -0.152529 -0.818696 1.397716
C 7.355250 0.634751 -1.354637
C -2.206817 0.056451 0.280324
C -1.779927 -2.414254 0.376919
C -3.583305 -0.057446 -0.078653
C -3.105036 -2.797080 0.020216
C -1.623524 1.349653 0.199094
C -0.792510 -3.441363 0.384124
C -2.365518 2.486959 -0.216093
C -4.316631 1.060590 -0.530443
C -3.416526 -4.118507 -0.353098
C -3.722397 2.332615 -0.593405
C -1.112934 -4.775250 0.051241
C -2.423588 -5.124059 -0.332801
C -1.752552 3.857355 -0.291443
C -0.283039 4.039036 0.112334
C 0.205857 5.491028 -0.023229
H 5.040417 -0.151638 1.927245
H 4.189339 1.437202 1.912995
H 3.183632 -1.317511 -1.123444
H 4.409041 -1.831890 0.093831
H 2.617779 -1.300258 1.859541
H 2.147916 0.418455 2.020206
H 6.532665 1.575165 1.001539
H 5.286744 2.082626 -0.197550
H 4.680397 0.393175 -2.040824
H 5.527820 -1.195998 -2.005807
H 0.918108 0.223548 -0.222095
H 1.182201 -1.523580 -0.185503
H -0.269418 0.081456 2.029882
H 0.035495 -1.658517 2.092152
H 7.745797 -0.197995 -1.966893
H 7.087755 1.475559 -2.044430
H 8.168546 0.981808 -0.692170
H -0.573150 1.481928 0.459443
H 0.241033 -3.208580 0.647696
H -5.366071 0.925988 -0.813425
H -4.445535 -4.363246 -0.638330
H -4.280925 3.212796 -0.924665
H -0.325185 -5.535679 0.081802
H -2.675992 -6.152947 -0.606806
H 0.341086 3.362598 -0.507704
H -0.160259 3.685428 1.157345
H -0.394205 6.169331 0.606869
H 1.266114 5.573263 0.276322
H 0.104071 5.843751 -1.063558


