%chk=000005467.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005467

0 1
 S    4.194500       1.822300     -0.4124000    
 O    1.008000      -3.071200      0.4248000    
 O  -0.7580000      -1.415100       1.501800    
 O    5.286600       1.491300      -1.316400    
 O    3.298700       2.924700     -0.7341000    
 N   -4.613900      0.5397000     -2.2100000E-02
 N  -0.9096000      0.5867000      0.3397000    
 C   -3.222000      0.2688000     -0.3798000    
 C   -2.283400      0.8662000      0.6581000    
 C   -4.847800       1.980500      6.6600002E-02
 C   -5.519600     -6.6000000E-02 -0.9978000    
 C   -6.273700       2.279800      0.4971000    
 C   -5.290400      -1.564200      -1.103100    
 C    1.176400     -0.6788000      0.3999000    
 C  -0.2498000     -0.5488000      0.7949000    
 C    3.246100      0.3773000     -0.1633000    
 C    1.905500      0.4782000      0.2087000    
 C    1.731400      -1.931700      0.2352000    
 C    3.829400     -0.8780000     -0.3364000    
 C    3.072000      -2.032500     -0.1371000    
 C    4.893800       2.172000       1.185000    
 C   0.3259000      -3.601400     -0.7096000    
 H   -2.978500      0.6590000      -1.377300    
 H   -3.017300     -0.8070000     -0.3970000    
 H   -2.506500      0.4795000       1.659200    
 H   -2.324800       1.957500      0.6906000    
 H   -4.231800       2.436800      0.8459000    
 H   -4.627100       2.494100     -0.8774000    
 H   -6.561100      5.2200001E-02 -0.6817000    
 H   -5.420100      0.3919000      -1.990000    
 H  -0.4491000       1.228800     -0.2970000    
 H   -6.358900       3.336000      0.7777000    
 H   -6.568200       1.686600       1.369800    
 H   -6.997300       2.113600     -0.3069000    
 H   -6.127300      -2.024500      -1.641000    
 H   -5.238200      -2.039700     -0.1176000    
 H   -4.387000      -1.811900      -1.669100    
 H    1.478800       1.461300      0.3800000    
 H    4.873400     -0.9806000     -0.6188000    
 H    3.533700      -3.007000     -0.2715000    
 H    5.512500       1.327500       1.494300    
 H    4.084700       2.342600       1.897600    
 H    5.508200       3.070700       1.096600    
 H  -0.3717000      -2.867100      -1.124800    
 H  -0.2418000      -4.478900     -0.3883000    
 H    1.043900      -3.910700      -1.475600    


%chk=000005467-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005467

0 1
S 4.469833 1.930642 0.414839
O 1.311638 -2.991670 -1.157976
O -0.794845 -1.475614 0.890364
O 5.830599 1.884423 -0.493993
O 3.434282 3.201619 0.390578
N -4.643565 0.569964 -0.273012
N -0.834333 0.596927 -0.166322
C -3.268605 0.222299 -0.693181
C -2.222500 0.891255 0.236242
C -5.166724 1.791187 -0.939650
C -5.585022 -0.580006 -0.282088
C -6.236038 2.526506 -0.108947
C -5.329685 -1.563016 0.876924
C 1.259704 -0.659985 -0.164368
C -0.201656 -0.573302 0.213960
C 3.458499 0.393899 0.001631
C 2.073943 0.457053 0.173044
C 1.903579 -1.821107 -0.706085
C 4.112633 -0.738031 -0.520166
C 3.320852 -1.841488 -0.866866
C 5.015399 1.700205 2.237107
C -0.132190 -3.108317 -1.429387
H -3.066693 0.512225 -1.752769
H -3.124365 -0.870340 -0.624805
H -2.379530 0.512056 1.259651
H -2.361653 1.987142 0.246581
H -4.312840 2.478180 -1.095780
H -5.572669 1.559716 -1.957664
H -6.609640 -0.177855 -0.184527
H -5.552105 -1.127353 -1.258410
H -0.340745 1.250261 -0.777260
H -6.564395 3.445185 -0.630015
H -5.826096 2.803785 0.877755
H -7.131083 1.900910 0.058914
H -6.044267 -2.406299 0.834010
H -5.448470 -1.046265 1.845077
H -4.308204 -1.983822 0.844172
H 1.623869 1.367927 0.584747
H 5.195027 -0.733630 -0.684261
H 3.762758 -2.744124 -1.298010
H 5.625138 0.787319 2.276286
H 4.099808 1.629803 2.839865
H 5.599773 2.601109 2.470714
H -0.694271 -3.206740 -0.487775
H -0.218661 -4.013302 -2.048944
H -0.497881 -2.228830 -1.992802


