%chk=000172994.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172994

0 1
 S   -2.514300      0.4116000       1.897400    
 O   -1.711200     -0.9818000      -2.181700    
 O   -6.352800      5.3100001E-02 -0.6571000    
 O   -5.458300      -1.400200      0.8541000    
 O    1.279400      -1.246800      -1.338900    
 O    3.273600      0.4526000     -0.7952000    
 N   -3.075300     -0.9768000     -0.2569000    
 N   5.7000001E-03 -0.5683000      0.4778000    
 C   -2.422800      -1.202100       1.033600    
 C   -3.507100       1.233500      0.5545000    
 C   -4.021900      0.1089000     -0.3717000    
 C   -1.126800      -1.476900      0.2532000    
 C   -1.950600      -1.152300      -1.008000    
 C   -4.621200       2.068200       1.194400    
 C   -2.557300       2.172500     -0.2082000    
 C   -5.327300     -0.5095000      2.7700000E-02
 C    1.127200     -0.5319000     -0.3506000    
 C    2.154900      0.5103000      7.4000001E-02
 C    1.585600       1.932100      7.0799999E-02
 C    1.016600       2.361800      -1.276800    
 C    4.481100      0.1231000     -0.2331000    
 C    4.628600      -1.100300      0.4088000    
 C    5.542000       1.016900     -0.3125000    
 C    5.856200      -1.435200      0.9801000    
 C    6.769500      0.6818000      0.2589000    
 C    6.926700     -0.5442000      0.9051000    
 H   -2.831300      -2.054200       1.584200    
 H   -4.067300      0.4240000      -1.420800    
 H  -0.8094000      -2.525900      0.2902000    
 H   -4.212200       2.877800       1.810600    
 H   -5.247400       2.533200      0.4242000    
 H   -5.275000       1.468300       1.837200    
 H   -3.098100       2.704100      -1.000100    
 H   -2.116200       2.930300      0.4497000    
 H   -1.743600       1.626200     -0.6882000    
 H  -7.7999998E-03  4.5100000E-02   1.288700    
 H    2.440900      0.2759000       1.109400    
 H   -7.217400     -0.3384000     -0.4090000    
 H   0.7983000       2.029500      0.8267000    
 H    2.379100       2.638100      0.3446000    
 H   0.5628000       3.354500      -1.193900    
 H    1.809100       2.419700      -2.030000    
 H   0.2564000       1.669900      -1.646000    
 H    3.806400      -1.807800      0.4660000    
 H    5.423000       1.972700     -0.8145000    
 H    5.979300      -2.390800       1.481300    
 H    7.603000       1.375700      0.2006000    
 H    7.882700     -0.8052000       1.349500    


%chk=000172994-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000172994

0 1
S -1.842898 0.175563 1.757580
O -2.495649 0.976254 -2.494145
O -6.271465 -1.107732 0.547488
O -4.407079 -2.450803 0.912857
O 1.843929 -0.530354 -1.962874
O 3.857170 1.161726 -0.771264
N -2.920784 -0.520661 -0.614804
N 0.233093 0.549741 -0.668557
C -1.735223 -0.909837 0.183770
C -3.657772 0.790019 1.335677
C -4.124404 -0.120478 0.109328
C -0.818575 -0.381448 -0.985125
C -2.161312 0.192489 -1.591992
C -4.519104 0.627140 2.602195
C -3.589890 2.264177 0.882370
C -4.897088 -1.359508 0.560139
C 1.517696 0.419013 -1.201412
C 2.459940 1.585527 -0.813817
C 2.386355 2.731795 -1.851912
C 2.800038 2.318943 -3.279042
C 4.274968 0.287816 0.252710
C 3.433929 -0.230099 1.267855
C 5.651224 -0.043890 0.224228
C 3.986639 -1.080183 2.254706
C 6.185740 -0.892601 1.212929
C 5.357655 -1.415338 2.237040
H -1.670608 -1.963150 0.481052
H -4.769323 0.482447 -0.551692
H -0.380644 -1.186184 -1.601841
H -4.151034 1.294352 3.400728
H -5.568446 0.901039 2.385321
H -4.491121 -0.406689 2.985440
H -4.612594 2.663472 0.737714
H -3.086580 2.880420 1.646947
H -3.039765 2.377330 -0.067380
H 0.018121 1.293216 0.003082
H 2.163613 1.981197 0.183974
H -6.766170 -1.913200 0.862322
H 1.352819 3.130944 -1.852275
H 3.049140 3.538559 -1.485597
H 2.769811 3.195569 -3.950823
H 3.823804 1.909753 -3.281490
H 2.129087 1.545466 -3.690299
H 2.364604 0.000026 1.300098
H 6.273477 0.367701 -0.576285
H 3.333694 -1.482967 3.037375
H 7.250889 -1.147939 1.183910
H 5.775595 -2.075830 3.003891


