%chk=000172760.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172760

0 1
 S    3.179100      -1.603200      5.3700000E-02
 S   -3.478400       2.690800     -0.2121000    
 O   -1.301400       1.276600     -0.1285000    
 O   -2.152700      -2.159100     -0.1679000    
 N    3.788500      0.9675000      7.2600000E-02
 N   -3.173000     -4.1499998E-02 -0.2044000    
 C    5.070600      0.3023000      0.3099000    
 C    2.707000      9.8099999E-02  2.8500000E-02
 C    4.933900      -1.140400     -0.1936000    
 C    1.403700      0.4111000     -2.2800000E-02
 C   0.2919000     -0.5254000     -6.8300001E-02
 C  -0.9705000     -6.8400003E-02 -0.1177000    
 C    3.720800       2.409600      0.1919000    
 C   -2.147400     -0.9431000     -0.1657000    
 C   -4.586000     -0.3857000     -0.2605000    
 C   0.5689000      -2.003400     -5.9300002E-02
 C   -2.675100       1.233700     -0.1825000    
 C   -5.180000     -0.5195000       1.126500    
 H    5.292100      0.3109000       1.384300    
 H    5.892100      0.8083000     -0.2092000    
 H    5.149000      -1.191900      -1.266100    
 H    5.604600      -1.823900      0.3339000    
 H    1.142600       1.467400     -3.2299999E-02
 H    3.350000       2.694000       1.181900    
 H    3.058000       2.834400     -0.5691000    
 H    4.706900       2.866000      5.5100001E-02
 H   -5.136100      0.3645000     -0.8363000    
 H   -4.680900      -1.344900     -0.7819000    
 H    1.085500      -2.316300     -0.9737000    
 H  -0.2686000      -2.685900     -0.1001000    
 H    1.002400      -2.321200      0.8956000    
 H   -4.658800      -1.290200       1.704400    
 H   -5.107700      0.4186000       1.685700    
 H   -6.236500     -0.7978000       1.063400    


%chk=000172760-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000172760

0 1
S 3.660969 -1.761720 0.076151
S -3.249867 2.820674 -0.019110
O -1.175925 1.046577 -0.039539
O -2.562286 -2.262263 -0.287489
N 3.762562 0.897260 0.032619
N -3.184081 0.041693 -0.176813
C 5.142134 0.503145 0.395463
C 2.818697 -0.125476 0.022491
C 5.346201 -0.915117 -0.158012
C 1.445987 0.091941 -0.007480
C 0.369823 -0.857696 -0.102261
C -0.935921 -0.375522 -0.115051
C 3.365308 2.311394 0.077044
C -2.233408 -1.042059 -0.201841
C -4.640279 -0.174656 -0.221450
C 0.581458 -2.358131 -0.186446
C -2.569047 1.280809 -0.078138
C -5.264811 -0.222972 1.187209
H 5.280001 0.516262 1.498307
H 5.860191 1.210904 -0.055265
H 5.580548 -0.912453 -1.233258
H 6.097635 -1.487979 0.403718
H 1.125063 1.137452 0.056664
H 2.870241 2.577989 1.032962
H 2.669593 2.540502 -0.749100
H 4.261565 2.940907 -0.043474
H -5.078791 0.647766 -0.813486
H -4.795564 -1.132036 -0.748760
H 1.220757 -2.616136 -1.050790
H -0.378956 -2.886831 -0.285994
H 1.090377 -2.734222 0.721553
H -4.831942 -1.047217 1.779729
H -5.099917 0.729590 1.719491
H -6.353816 -0.390381 1.105755


