%chk=000146648.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146648

0 1
 S   -3.101700      -2.744900     -0.3037000    
 O  -0.6191000       2.680800      -1.039800    
 O    3.903100      -1.423400      0.1682000    
 O    3.889300       1.348300      0.3809000    
 N   -2.088000       1.190600     -9.4999999E-02
 N  -0.7765000      -1.529500     -0.6327000    
 C   -2.464200     -0.1171000      0.4571000    
 C   -2.182600      -1.183900     -0.6064000    
 C   -3.226000       2.097700     -0.2071000    
 C   -3.913500      0.1128000      0.7902000    
 C  -0.8307000       1.584700     -0.5164000    
 C   -4.327800       1.326800      0.4189000    
 C   0.3331000      0.6803000     -0.3088000    
 C   0.3209000     -0.7214000     -0.4160000    
 C    1.557400      -1.391200     -0.2480000    
 C    1.546400       1.354300     -4.1600000E-02
 C    2.749900     -0.7173000      1.5100000E-02
 C    2.743000      0.6620000      0.1220000    
 C   -2.404900      -3.125000       1.316900    
 C    4.678700      -1.662800      -1.005200    
 C    4.213100       1.578100       1.751400    
 H   -1.884700     -0.2703000       1.375700    
 H   -2.480600     -0.8327000      -1.601700    
 H   -3.416300       2.313900      -1.262500    
 H   -3.006500       3.026000      0.3287000    
 H   -4.547300     -0.6045000       1.292200    
 H  -0.5796000      -2.500400     -0.8558000    
 H   -5.328300       1.705100      0.5675000    
 H    1.587000      -2.479300     -0.3171000    
 H    1.567400       2.439700      4.7200002E-02
 H   -1.318700      -3.237400       1.282200    
 H   -2.820300      -4.080600       1.651000    
 H   -2.679100      -2.375100       2.062100    
 H    4.105300      -2.248800      -1.730500    
 H    5.566600      -2.232700     -0.7184000    
 H    4.999300     -0.7176000      -1.454500    
 H    5.155000       2.131800       1.792400    
 H    4.341500      0.6290000       2.281200    
 H    3.433700       2.176200       2.234200    


%chk=000146648-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000146648

0 1
S -2.939083 -2.874787 0.433331
O -0.723055 2.902969 -0.894302
O 3.694906 -1.665863 -0.038263
O 3.802477 1.210943 0.551854
N -2.237466 1.231472 -0.384609
N -1.017484 -1.383965 -1.011245
C -2.611237 -0.017148 0.331055
C -2.382423 -1.271973 -0.539394
C -3.389344 2.156644 -0.554610
C -4.081386 0.221956 0.642055
C -0.941395 1.691857 -0.555697
C -4.506070 1.409052 0.142696
C 0.181686 0.726696 -0.320310
C 0.129041 -0.687532 -0.560029
C 1.340124 -1.434732 -0.472391
C 1.421758 1.310921 0.050312
C 2.562431 -0.832569 -0.132455
C 2.598983 0.562279 0.175481
C -1.655118 -2.895253 1.814233
C 4.849711 -1.271247 -0.883425
C 4.280925 0.839323 1.903288
H -2.004609 -0.124201 1.255356
H -3.100606 -1.288674 -1.379000
H -3.596612 2.349512 -1.626135
H -3.156252 3.138308 -0.097079
H -4.673624 -0.516346 1.185252
H -0.820595 -2.273878 -1.476299
H -5.520157 1.809322 0.218060
H 1.343379 -2.511073 -0.680501
H 1.455273 2.393198 0.209496
H -0.666419 -2.638568 1.402842
H -1.632667 -3.926177 2.200457
H -1.926820 -2.201742 2.624472
H 4.585911 -1.385272 -1.951643
H 5.654783 -1.972826 -0.618004
H 5.150788 -0.229269 -0.679616
H 5.219893 1.395300 2.047985
H 4.463331 -0.249484 1.972970
H 3.541324 1.145029 2.667712


