%chk=000056951.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056951

0 1
 S   -1.335700      -3.044500      0.9036000    
 O   -2.437800     -0.4903000       2.364600    
 N    2.634100      3.6100000E-02 -6.0100000E-02
 N    1.184000     -0.5091000      -1.849600    
 N  -0.7028000      -1.955600      -1.456900    
 N   -3.017400      0.1632000      0.2149000    
 N   -2.921200       1.477000      0.5151000    
 C    4.950500       1.511000      0.8274000    
 C    3.793900       1.205300       1.770900    
 C    5.059800      0.4274000     -0.2387000    
 C    2.479900       1.026100       1.011900    
 C    3.745400      0.2556000     -0.9968000    
 C    1.504800     -0.6348000     -0.5452000    
 C   0.7810000      -1.392500      0.3527000    
 C  -0.3329000      -2.045700     -0.1552000    
 C   8.4799998E-02  -1.186300      -2.232400    
 C   -2.920100      -2.187800      0.7391000    
 C   -2.756400     -0.7620000       1.208000    
 C   -3.170100       2.330300     -0.4312000    
 C   -3.062300       3.797600     -9.6100003E-02
 C   -3.561600       1.979100      -1.846300    
 H    4.794000       2.486400      0.3513000    
 H    5.886600       1.572700       1.393300    
 H    4.017500      0.2884000       2.330900    
 H    3.689500       2.012400       2.504600    
 H    5.862700      0.6759000     -0.9416000    
 H    5.332100     -0.5225000      0.2387000    
 H    1.706400      0.7334000       1.730900    
 H    2.165200       1.982400      0.5753000    
 H    3.542400       1.143800      -1.608100    
 H    3.856000     -0.5987000      -1.676600    
 H    1.068500      -1.488500       1.394000    
 H  -0.1968000      -1.102200      -3.274800    
 H   -3.665500      -2.675400       1.375000    
 H   -3.275500      -2.244500     -0.2941000    
 H   -3.275800     -0.1086000     -0.7265000    
 H   -2.773800       3.937600      0.9493000    
 H   -2.309000       4.260300     -0.7396000    
 H   -4.028700       4.279200     -0.2680000    
 H   -3.711400       2.888000      -2.435600    
 H   -2.768300       1.389800      -2.314400    
 H   -4.495700       1.410900      -1.842200    


%chk=000056951-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056951

0 1
S -1.449594 -1.227604 2.134326
O -5.160751 -1.084656 1.510203
N 3.147592 0.609447 0.366868
N 1.296435 0.561595 -1.090202
N -0.896865 -0.230545 -0.389931
N -3.761651 0.107948 0.018685
N -4.725133 1.087323 -0.239249
C 6.028549 0.079976 0.315963
C 5.116607 -0.495080 1.424741
C 5.222182 0.311006 -0.983674
C 3.874995 0.405624 1.637763
C 3.978563 1.189601 -0.718353
C 1.819629 0.298159 0.172338
C 0.976770 -0.283505 1.175811
C -0.369675 -0.519362 0.847119
C -0.004615 0.281610 -1.293299
C -2.896590 -1.899198 1.093817
C -4.063408 -0.916378 0.913902
C -4.435890 2.018553 -1.124766
C -5.498557 3.065856 -1.370242
C -3.132388 2.114928 -1.904927
H 6.458143 1.044316 0.658580
H 6.879602 -0.600714 0.128807
H 4.781361 -1.512534 1.144497
H 5.668150 -0.578555 2.380531
H 5.851397 0.802826 -1.749510
H 4.894919 -0.661218 -1.400428
H 3.210282 -0.028806 2.398451
H 4.203315 1.397540 2.015130
H 4.300614 2.205575 -0.404724
H 3.344108 1.283783 -1.611261
H 1.342172 -0.559260 2.166007
H -0.396113 0.491595 -2.294128
H -3.261178 -2.765602 1.664030
H -2.465768 -2.219637 0.130777
H -2.784907 0.119314 -0.365781
H -6.374793 2.870241 -0.732874
H -5.112454 4.080701 -1.149950
H -5.817138 3.065234 -2.431352
H -3.182790 2.919442 -2.655908
H -2.275510 2.326082 -1.235431
H -2.909319 1.165279 -2.430854


