%chk=000104461.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104461

0 1
 S    3.630600      -2.272100      0.1393000    
 O   -2.209000       2.660100      6.3900001E-02
 N   -2.659100      0.4556000      8.0000004E-03
 N   -3.239200      -1.694000     -4.5800000E-02
 C   0.1493000     -9.5100001E-02  2.9700000E-02
 C    1.555400     -0.3644000      3.9200000E-02
 C  -0.7930000      -1.158400      1.1000000E-03
 C  -0.2995000       1.241800      5.3300001E-02
 C   -2.225200     -0.8542000     -1.4000000E-02
 C    2.486400      0.7275000      4.3800000E-02
 C    1.942400      -1.726000      4.8999999E-02
 C   -1.760700       1.523600      4.3600000E-02
 C   -4.037900      0.4432000     -1.1500000E-02
 C    3.973300      0.5173000     -8.1000002E-03
 C  -0.3658000      -2.481500     -8.7000001E-03
 C   0.5903000       2.300500      9.3000002E-02
 C    1.955500       2.039100      8.9699998E-02
 C   0.9907000      -2.760300      2.0600000E-02
 C   -4.367500     -0.9114000     -4.5000002E-02
 C    4.557700     -0.7630000      3.6600001E-02
 C   -5.012300       1.448900     -4.4000000E-03
 C    4.877300       1.602700     -0.1221000    
 C   -5.719200      -1.296800     -7.2600000E-02
 C    5.958700     -0.9279000     -7.0000002E-03
 C   -6.352300       1.047400     -3.2200001E-02
 C    6.265900       1.434300     -0.1678000    
 C   -6.702100     -0.3018000     -6.5499999E-02
 C    6.809200      0.1649000     -0.1060000    
 H   -1.074200      -3.305500     -2.9300001E-02
 H   0.2501000       3.331500      0.1227000    
 H    2.593800       2.916700      0.1260000    
 H    1.299000      -3.804500      2.7000001E-02
 H   -4.754900       2.501500      2.1299999E-02
 H    4.534800       2.631000     -0.1886000    
 H   -5.999700      -2.345100     -9.8999999E-02
 H    6.404200      -1.920800      3.2200001E-02
 H   -7.134300       1.802800     -2.7500000E-02
 H    6.913900       2.301700     -0.2538000    
 H   -7.751200     -0.5853000     -8.6499996E-02
 H    7.884500      2.3100000E-02 -0.1406000    


%chk=000104461-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000104461

0 1
S 3.684515 -2.326445 0.119904
O -2.222657 2.772534 0.050224
N -2.646114 0.473122 0.005006
N -3.261438 -1.747257 -0.035627
C 0.139554 -0.123308 0.023644
C 1.568200 -0.396893 0.031270
C -0.808710 -1.204279 0.001227
C -0.328890 1.237368 0.043563
C -2.223655 -0.893165 -0.010283
C 2.511630 0.709479 0.035060
C 1.959390 -1.782234 0.038212
C -1.772559 1.589020 0.034656
C -4.062300 0.462712 -0.012384
C 3.986742 0.514622 -0.015490
C -0.366532 -2.539052 -0.008012
C 0.602529 2.285541 0.081026
C 1.985924 2.023551 0.076772
C 1.012187 -2.824377 0.014154
C -4.417360 -0.930226 -0.037494
C 4.607626 -0.768844 0.024414
C -5.021321 1.491512 -0.007970
C 4.872879 1.632580 -0.114601
C -5.776380 -1.310779 -0.059089
C 6.015476 -0.924469 -0.006955
C -6.376698 1.088379 -0.029990
C 6.269146 1.490730 -0.148415
C -6.747785 -0.286669 -0.054971
C 6.851919 0.201632 -0.088347
H -1.110403 -3.340955 -0.028664
H 0.224946 3.312815 0.110201
H 2.658130 2.882353 0.111855
H 1.352184 -3.865283 0.014708
H -4.724470 2.541965 0.011877
H 4.463851 2.643275 -0.177647
H -6.052149 -2.369284 -0.078209
H 6.447738 -1.930696 0.027920
H -7.160574 1.853754 -0.027597
H 6.902868 2.380089 -0.225764
H -7.810795 -0.551710 -0.071326
H 7.939258 0.075994 -0.112858


