%chk=000178953.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178953

0 1
 S   -3.172900      -2.121900     -0.5290000    
 O    4.828800     -0.3045000      4.3200001E-02
 N   -4.740400      0.5157000     -0.2097000    
 C  -3.8699999E-02  -1.332600     -0.2934000    
 C   -1.135300     -0.2936000     -0.1862000    
 C    1.205800     -0.4866000     -0.1233000    
 C  -0.5819000      0.9901000      2.0300001E-02
 C   0.8598000      0.8713000      5.9099998E-02
 C   -2.503100     -0.4870000     -0.2670000    
 C   -1.403200       2.097800      0.1484000    
 C    2.526000     -0.9015000     -0.1317000    
 C    1.843100       1.830200      0.2356000    
 C   -3.330700      0.6298000     -0.1378000    
 C   -2.786200       1.909300      6.7900002E-02
 C    3.517000      6.5499999E-02  4.6100002E-02
 C    3.179100       1.417700      0.2279000    
 C   -3.377800      -2.710100       1.175000    
 C    5.110500      -1.689500     -0.1455000    
 H  -0.1101000      -2.067000      0.5141000    
 H  -4.2399999E-02  -1.808900      -1.278300    
 H  -0.9977000       3.091400      0.3074000    
 H    2.717000      -1.957600     -0.2765000    
 H    1.597800       2.877500      0.3771000    
 H   -3.438900       2.774100      0.1673000    
 H    3.964600       2.157100      0.3648000    
 H   -5.162100     -0.3924000     -0.3531000    
 H   -5.323100       1.336300     -0.1110000    
 H   -2.413900      -2.729500       1.690100    
 H   -3.788500      -3.722800       1.160200    
 H   -4.066300      -2.059700       1.721200    
 H    4.706500      -2.297800      0.6710000    
 H    6.199100      -1.804400     -0.1200000    
 H    4.775800      -2.038600      -1.128200    


%chk=000178953-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178953

0 1
S -3.264052 -2.181141 -0.538429
O 4.967673 -0.234435 0.021028
N -4.789513 0.463510 -0.183285
C -0.031893 -1.356681 -0.309218
C -1.146536 -0.324377 -0.178265
C 1.231653 -0.519265 -0.137031
C -0.583489 0.971201 0.040258
C 0.883526 0.848332 0.065761
C -2.536582 -0.506777 -0.244687
C -1.436026 2.087488 0.190983
C 2.574081 -0.938116 -0.161794
C 1.903049 1.813412 0.246437
C -3.407789 0.626757 -0.108911
C -2.831451 1.914822 0.113841
C 3.586730 0.041237 0.021926
C 3.251065 1.406407 0.223952
C -3.670132 -2.656382 1.256548
C 5.378035 -1.622298 -0.189156
H -0.117023 -2.152947 0.455793
H -0.066724 -1.868797 -1.289889
H -1.024122 3.088721 0.361337
H 2.822698 -1.992246 -0.320295
H 1.658984 2.870115 0.402556
H -3.496988 2.780121 0.220650
H 4.066723 2.123265 0.359449
H -5.153639 -0.438966 -0.491362
H -5.406839 1.269547 -0.152983
H -2.738009 -2.767293 1.829919
H -4.208549 -3.616387 1.213885
H -4.307200 -1.880431 1.707323
H 4.988237 -2.285388 0.608446
H 6.477451 -1.607136 -0.152105
H 5.044354 -1.998071 -1.176684


