%chk=000072827.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072827

0 1
 S   -4.049200      0.9970000     -4.9600001E-02
 O  -0.6672000      -1.832800     -0.3258000    
 O   -3.211400       4.298700     -0.9319000    
 N    4.785200     -0.5495000      0.3287000    
 N    1.113000     -0.1460000      0.1510000    
 C    5.161800      0.3879000     -0.7386000    
 C    5.661000      -1.729700      0.3326000    
 C    6.608700      0.8566000     -0.5764000    
 C    7.124100      -1.330400      0.5297000    
 C    7.571400     -0.3242000     -0.5247000    
 C    3.386000     -0.9513000      0.1867000    
 C    2.472200      0.2620000      0.2996000    
 C   3.2000002E-02  0.7691000      0.1810000    
 C   -1.313900      0.3817000      5.6400001E-02
 C   -2.320400       1.348800      0.1163000    
 C   0.3733000       2.108000      0.3660000    
 C   -1.961000       2.695000      0.3013000    
 C   -1.602100      -1.059100     -0.1365000    
 C  -0.6241000       3.072300      0.4266000    
 C   -2.982400      -1.597300     -9.6799999E-02
 C   -4.110000     -0.7737000     -4.8500001E-02
 C   -2.976200       3.796300      0.3748000    
 C   -3.140700      -2.994300     -0.1100000    
 C   -5.384300      -1.365700     -1.3700000E-02
 C   -4.411200      -3.567300     -7.3500000E-02
 C   -5.534400      -2.752200     -2.4800001E-02
 H    4.573600       1.308100     -0.7104000    
 H    5.027200     -6.5899998E-02  -1.729200    
 H    5.557400      -2.296400     -0.6022000    
 H    5.378000      -2.400300       1.153200    
 H    6.704300       1.445900      0.3447000    
 H    6.880500       1.517000      -1.407800    
 H    7.760500      -2.221300      0.4836000    
 H    7.254800     -0.8953000       1.528700    
 H    7.604500     -0.8127000      -1.506200    
 H    8.585700      2.6300000E-02 -0.3043000    
 H    3.216200      -1.468600     -0.7677000    
 H    3.123100      -1.661200      0.9822000    
 H    2.633900      0.7453000       1.271300    
 H    2.680500      0.9754000     -0.5005000    
 H   0.9065000      -1.129700      3.8699999E-02
 H    1.392600       2.463400      0.4738000    
 H  -0.3462000       4.113500      0.5683000    
 H   -3.921200       3.504500      0.8411000    
 H   -2.593700       4.621900      0.9879000    
 H   -2.281500      -3.659800     -0.1449000    
 H   -6.282500     -0.7516000      2.1400001E-02
 H   -4.521300      -4.647600     -8.2699999E-02
 H   -6.526900      -3.192000      3.0000000E-03
 H   -3.846900       5.029800     -0.8474000    


%chk=000072827-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072827

0 1
S -4.116178 1.071234 -0.029286
O -0.584326 -1.784287 -0.334059
O -3.862723 4.101733 -0.532936
N 4.852054 -0.482365 0.151374
N 1.120813 0.065933 0.088932
C 5.348174 -0.082650 -1.191838
C 5.706011 -1.542525 0.748241
C 6.795139 0.445203 -1.116969
C 7.163908 -1.059740 0.888496
C 7.727633 -0.609742 -0.478834
C 3.413793 -0.830109 0.148093
C 2.531305 0.433930 0.234664
C 0.076185 0.945110 0.226548
C -1.310004 0.481254 0.081991
C -2.351469 1.459217 0.228971
C 0.324038 2.321981 0.516010
C -2.089989 2.817151 0.546360
C -1.564206 -0.946290 -0.170721
C -0.736727 3.215734 0.678102
C -2.944031 -1.509786 -0.216305
C -4.128449 -0.734624 -0.136051
C -3.192694 3.823603 0.763443
C -3.075169 -2.922857 -0.352765
C -5.406897 -1.346536 -0.195889
C -4.335397 -3.537078 -0.408784
C -5.509552 -2.742706 -0.329980
H 4.682731 0.699401 -1.601107
H 5.310106 -0.952105 -1.901954
H 5.689151 -2.477500 0.126694
H 5.295577 -1.799888 1.742484
H 6.806865 1.369124 -0.507073
H 7.142411 0.709140 -2.134489
H 7.780590 -1.873156 1.317075
H 7.188400 -0.209229 1.597025
H 7.802342 -1.488837 -1.152465
H 8.750531 -0.204483 -0.362460
H 3.124613 -1.422897 -0.756934
H 3.201229 -1.466719 1.027405
H 2.717466 0.926255 1.210111
H 2.828621 1.157766 -0.553243
H 0.825240 -0.908578 -0.140658
H 1.352692 2.675920 0.613175
H -0.523310 4.266662 0.908388
H -3.934418 3.435248 1.494904
H -2.759208 4.761592 1.163672
H -2.148550 -3.501082 -0.415396
H -6.310040 -0.729162 -0.135583
H -4.413648 -4.624127 -0.513660
H -6.498605 -3.211771 -0.372363
H -4.802726 4.366240 -0.365855


