%chk=000039712.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039712

0 1
 S    1.758600       3.914000     -0.3716000    
 O   -1.620400      -1.408300      0.1346000    
 O   -2.211100       1.132500     -0.8266000    
 O   -1.998200       1.943000       1.342600    
 N  -0.6693000       2.729300     -0.3893000    
 C    3.994900      -1.686700      0.2544000    
 C    3.428000     -0.2663000      9.5700003E-02
 C    2.945200      -2.592000      0.9344000    
 C    4.379700      -2.359400      -1.082900    
 C    5.268900      -1.643500       1.125700    
 C    3.318500      0.2534000      -1.169700    
 C    3.057200      0.4168000       1.226500    
 C    2.804000       1.541900      -1.313700    
 C    2.542600       1.705300       1.082400    
 C    2.416000       2.267900     -0.1876000    
 C   -1.334700      -2.586000     -0.6174000    
 C   0.1095000       3.689000      0.3671000    
 C   -2.905600     -0.9571000      0.1139000    
 C  -0.8395000      -3.673500      0.3237000    
 C  -0.3101000      -2.257100      -1.692500    
 C   -3.228100      0.2961000     -0.3567000    
 C   -3.929300      -1.781400      0.5809000    
 C   -4.522100      0.7678000     -0.3843000    
 C   -1.659400       1.942100      0.1628000    
 C   -5.249400      -1.331300      0.5652000    
 C   -5.545900     -5.6600001E-02  8.2599998E-02
 H    2.034200      -2.641300      0.3338000    
 H    2.668000      -2.241100       1.934000    
 H    3.321900      -3.615400       1.048200    
 H    5.161700      -1.802700      -1.612600    
 H    3.515800      -2.473700      -1.748500    
 H    4.776100      -3.367800     -0.9104000    
 H    5.067300      -1.292300       2.143600    
 H    6.022500     -0.9767000      0.6902000    
 H    5.718700      -2.639300       1.216600    
 H    3.602500     -0.2647000      -2.076600    
 H    3.148300      6.9999998E-04   2.223800    
 H    2.711200       1.964100      -2.311500    
 H    2.255800       2.254900       1.975400    
 H   -2.230400      -2.961000      -1.131500    
 H   0.1766000       3.384800       1.415700    
 H  -0.4243000       4.643100      0.3250000    
 H  -0.5117000      -4.561800     -0.2245000    
 H   -1.633200      -3.972800       1.016100    
 H  -1.5799999E-02  -3.312900      0.9458000    
 H  -2.3499999E-02  -3.146300      -2.261900    
 H  -0.7176000      -1.515700      -2.388600    
 H   0.5881000      -1.808400      -1.257800    
 H  -0.4982000       2.657100      -1.387200    
 H   -3.717600      -2.772600      0.9708000    
 H   -4.753100       1.759500     -0.7603000    
 H   -6.046300      -1.972100      0.9311000    
 H   -6.573600      0.2942000      7.0900001E-02


%chk=000039712-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039712

0 1
S 1.022541 1.830619 -2.040211
O -2.888047 -0.389253 -1.175783
O -3.181033 1.972319 0.123255
O -1.181848 1.032608 0.997511
N -1.180584 2.821999 -0.526993
C 5.074803 -1.855829 0.980657
C 4.085848 -0.933350 0.229233
C 4.456995 -3.280354 1.116965
C 6.434157 -1.985577 0.247275
C 5.338836 -1.273198 2.402480
C 4.424248 -0.251686 -0.967508
C 2.774388 -0.730998 0.743809
C 3.503070 0.602806 -1.616806
C 1.833144 0.095120 0.095660
C 2.203179 0.774311 -1.090764
C -2.461543 -1.684560 -1.789048
C 0.251081 2.940866 -0.649917
C -3.833233 -0.380443 -0.152155
C -1.572729 -2.465262 -0.806684
C -1.732123 -1.278025 -3.072571
C -3.975700 0.861278 0.530433
C -4.669547 -1.458748 0.226544
C -4.937177 1.040863 1.534251
C -1.769418 1.847961 0.254386
C -5.638164 -1.279925 1.241500
C -5.782718 -0.035753 1.893266
H 4.261479 -3.720877 0.122137
H 3.502013 -3.261370 1.671823
H 5.152072 -3.946631 1.662081
H 6.945713 -1.009578 0.155571
H 6.313247 -2.412711 -0.765518
H 7.100314 -2.658736 0.817514
H 4.405097 -1.185773 2.986313
H 5.791193 -0.266655 2.336767
H 6.031152 -1.929823 2.962798
H 5.420236 -0.367024 -1.405618
H 2.465479 -1.236305 1.666536
H 3.797711 1.138121 -2.525991
H 0.823826 0.210962 0.508883
H -3.374135 -2.264384 -2.041238
H 0.745284 2.637332 0.284164
H 0.519936 3.973109 -0.915876
H -1.265264 -3.426050 -1.259054
H -2.097485 -2.680580 0.140126
H -0.666237 -1.880635 -0.574017
H -1.358279 -2.176103 -3.596644
H -2.409305 -0.729956 -3.750003
H -0.875823 -0.623395 -2.832576
H -1.795004 3.336854 -1.159174
H -4.581211 -2.429989 -0.269122
H -5.010540 2.016330 2.024868
H -6.281442 -2.121976 1.519508
H -6.535056 0.097756 2.676755


