%chk=000176429.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176429

0 1
 S   -2.585600      -1.326200       1.252100    
 O    1.175100     -0.7185000       1.958300    
 O    4.801100       1.736800      -1.061600    
 O   -3.697600      -2.326300       1.131600    
 N  -0.9825000      0.4312000     -0.7349000    
 N    2.008000       1.238800      0.9973000    
 N    4.054800     -0.1873000      2.8800000E-02
 C   0.2599000       2.501900     -0.2268000    
 C  -7.8999996E-03   1.398000      -1.249300    
 C   0.7696000       1.989200       1.118900    
 C   -2.288500      0.8904000     -0.4520000    
 C  -0.6190000     -0.9343000     -0.7187000    
 C    3.230200       1.984500      0.7283000    
 C    2.082400     -9.0599999E-02   1.415800    
 C    3.467200     -0.6808000       1.267300    
 C   -3.149500      0.1383000      0.3689000    
 C   -1.326400      -1.853800      7.7900000E-02
 C    4.084900       1.184100     -0.2291000    
 C   -2.804400       2.075600      -1.018100    
 C   0.4153000      -1.443200      -1.532700    
 C   -4.464000      0.5728000      0.6135000    
 C  -0.9934000      -3.219600      5.9400000E-02
 C    4.861000      -1.109900     -0.7528000    
 C   -4.113600       2.498500     -0.7760000    
 C   0.7369000      -2.802600      -1.551100    
 C   -4.944900       1.745400      3.9799999E-02
 C   3.0800000E-02  -3.692100     -0.7551000    
 H  -0.6272000       3.113600     -3.8600001E-02
 H   0.9926000       3.191300     -0.6636000    
 H  -0.3371000       1.817000      -2.207900    
 H   0.9738000      0.9673000      -1.460200    
 H   2.9000000E-03   1.376600       1.604500    
 H   0.9600000       2.834700       1.790900    
 H    3.771900       2.134800       1.667700    
 H    3.000000       2.952500      0.2757000    
 H    4.095000     -0.3812000       2.112000    
 H    3.383500      -1.771200       1.223900    
 H   -2.217000       2.691200      -1.693500    
 H   0.9704000     -0.8200000      -2.227200    
 H   -5.124500      6.6999998E-03   1.266700    
 H   -1.521900      -3.929600      0.6917000    
 H    5.214000     -0.6390000      -1.674000    
 H    4.256000      -1.985000      -1.006100    
 H    5.723600      -1.415400     -0.1538000    
 H   -4.481400       3.412500      -1.232800    
 H    1.531700      -3.163000      -2.197700    
 H   -5.962100       2.071100      0.2340000    
 H   0.2783000      -4.749100     -0.7635000    


%chk=000176429-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176429

0 1
S -2.102243 -1.254022 1.510597
O 0.914955 -0.235731 2.283827
O 4.721966 1.229417 -1.291375
O -3.237319 -2.458205 1.750282
N -0.800254 0.575883 -0.663222
N 2.002215 1.469340 1.099840
N 3.905018 -0.385129 0.197786
C 0.305818 2.805348 -0.222773
C 0.100180 1.620645 -1.196382
C 0.837223 2.378846 1.167696
C -2.160936 0.906939 -0.380367
C -0.439879 -0.803128 -0.786748
C 3.281871 1.962351 0.552106
C 1.923231 0.201796 1.652238
C 3.164515 -0.677703 1.441557
C -2.945090 0.098200 0.481445
C -1.035369 -1.787837 0.041867
C 4.037325 0.906286 -0.272305
C -2.818413 2.003141 -1.008712
C 0.461685 -1.267397 -1.786955
C -4.319873 0.291519 0.673690
C -0.819121 -3.162378 -0.120874
C 4.573133 -1.503512 -0.488678
C -4.192019 2.238305 -0.787502
C 0.730312 -2.646329 -1.928975
C -4.957776 1.378558 0.034113
C 0.081770 -3.605111 -1.116050
H -0.640353 3.353020 -0.058620
H 0.998355 3.518866 -0.712551
H -0.250365 2.002408 -2.178351
H 1.081239 1.152026 -1.369203
H 0.059705 1.829726 1.724755
H 1.101141 3.281382 1.753749
H 3.948010 2.330633 1.362031
H 3.093590 2.811303 -0.122660
H 3.824910 -0.592676 2.331580
H 2.799667 -1.717209 1.405450
H -2.272475 2.648703 -1.703354
H 0.921671 -0.564444 -2.488260
H -4.866194 -0.411207 1.314044
H -1.358889 -3.860496 0.529877
H 5.102940 -1.096528 -1.364172
H 3.827651 -2.250807 -0.818231
H 5.304349 -1.995198 0.180081
H -4.672428 3.087741 -1.285924
H 1.422716 -2.972832 -2.713502
H -6.027969 1.555624 0.179636
H 0.272200 -4.674026 -1.254599


