%chk=000048792.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048792

0 1
 S    1.194700     -0.8844000      -1.039900    
 O   -1.359500      -2.481600      0.1783000    
 O  -0.1414000       2.046400     -7.3899999E-02
 O   -4.297500      0.6540000      -1.432000    
 N   -2.860100     -0.8989000     -0.5331000    
 N   -2.251400       1.362800     -0.6596000    
 C  -0.8412000     -0.1599000      0.6489000    
 C   0.6417000     -0.5589000      0.6493000    
 C   -1.312400      4.7800001E-02   2.099400    
 C    2.916200      -1.310300     -0.6841000    
 C   -1.675000      -1.297100      6.7000002E-02
 C   -1.009900       1.174400     -7.0799999E-02
 C    3.682200     -0.1331000     -5.9500001E-02
 C  -0.5612000       1.184900       2.754600    
 C    3.698300       1.125900     -0.9332000    
 C    2.935800      -2.523200      0.2435000    
 C   -3.218900      0.3936000     -0.8963000    
 C    4.459400       2.257600     -0.2586000    
 H   0.7696000      -1.448000       1.272000    
 H    1.257000      0.2437000       1.053200    
 H   -1.170100     -0.8701000       2.684100    
 H   -2.387200      0.2683000       2.133200    
 H    3.384500      -1.583800      -1.636200    
 H    4.723200     -0.4538000      8.7600000E-02
 H    3.319900      0.1066000      0.9459000    
 H   0.5182000       1.029100       2.808000    
 H  -0.7667000       2.158200       2.302100    
 H  -0.9000000       1.268600       3.794800    
 H   -3.500700      -1.638400     -0.8080000    
 H   -2.443300       2.290400      -1.027400    
 H    2.684600       1.484600      -1.135300    
 H    4.164200      0.9006000      -1.899400    
 H    2.694600      -2.280500       1.282700    
 H    2.273500      -3.324500     -0.1024000    
 H    3.949800      -2.941400      0.2645000    
 H    4.467500       3.144300     -0.9002000    
 H    5.497500       1.970500     -6.3199997E-02
 H    3.992600       2.531200      0.6931000    


%chk=000048792-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048792

0 1
S 1.102283 -1.642023 -0.656920
O -2.278110 -2.132732 0.244963
O 0.618877 1.728340 0.849805
O -2.750882 1.700849 -2.338753
N -2.494952 -0.198415 -0.999925
N -1.124304 1.696043 -0.660185
C -0.833996 -0.256094 0.895942
C 0.389526 -1.194844 1.046855
C -1.539443 -0.029926 2.302711
C 2.995077 -1.398295 -0.387700
C -1.900021 -0.954465 0.024291
C -0.363308 1.106475 0.363955
C 3.386092 0.085261 -0.230085
C -0.622248 0.462224 3.439453
C 3.184126 0.933586 -1.504576
C 3.501715 -2.294851 0.756563
C -2.165636 1.107698 -1.400154
C 3.506699 2.425729 -1.275563
H 0.083994 -2.123620 1.552813
H 1.172894 -0.679144 1.621621
H -1.992674 -1.001822 2.574528
H -2.374038 0.685570 2.160335
H 3.377500 -1.783118 -1.353827
H 4.456777 0.120894 0.066361
H 2.815956 0.541053 0.603613
H 0.144666 -0.288200 3.698848
H -0.106682 1.400655 3.176458
H -1.231027 0.641121 4.344321
H -3.230453 -0.657482 -1.547546
H -0.840087 2.632430 -0.966992
H 2.134230 0.824485 -1.840714
H 3.819712 0.529519 -2.319647
H 3.120140 -1.955159 1.737082
H 3.193016 -3.344038 0.610014
H 4.607237 -2.257286 0.802765
H 3.361191 3.015523 -2.199516
H 4.555402 2.564695 -0.950311
H 2.849252 2.844966 -0.491783


