%chk=000084136.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084136

0 1
 S    3.251400      -1.884900      1.1000000E-03
 O   0.2768000       1.385400      0.1670000    
 N   -5.330000      0.7474000     -0.1436000    
 N   -1.735300     -9.8499998E-02 -6.1799999E-02
 N    4.858100      0.1979000      4.4500001E-02
 C   -3.893700      0.9771000     -4.9699999E-02
 C   -3.139200     -0.3439000     -0.1279000    
 C   0.6137000     -0.9243000     -2.9700000E-02
 C  -0.7749000      -1.139900     -8.3700001E-02
 C    1.485400      -2.015800     -6.6900000E-02
 C   -6.058900       2.016700     -0.1079000    
 C   -5.784400     -0.1289000      0.9378000    
 C    2.532500      0.8121000      6.9399998E-02
 C    1.092100      0.4749000      6.5399997E-02
 C   0.9491000      -3.311900     -0.1582000    
 C   -1.291800      -2.431400     -0.1747000    
 C    3.541800     -0.1413000      3.9900001E-02
 C  -0.4292000      -3.518900     -0.2122000    
 C    2.902900       2.163700      0.1050000    
 C   -5.603300       2.943000      -1.222600    
 C   -7.268200     -0.4303000      0.8134000    
 C    1.810900      -4.538600     -0.2027000    
 C    4.244000       2.523800      0.1092000    
 C    5.177200       1.509500      7.8199998E-02
 C    1.942300       3.312500      0.1296000    
 C    6.630700       1.844700      8.1100002E-02
 H   -3.630900       1.509500      0.8747000    
 H   -3.531800       1.586100     -0.8858000    
 H   -3.405400     -0.8576000      -1.060200    
 H   -3.390300     -0.9768000      0.7266000    
 H   -1.405100      0.8558000     -3.8999999E-03
 H   -7.127700       1.852000     -0.2788000    
 H   -5.951300       2.524100      0.8591000    
 H   -5.313200      -1.113200      0.8807000    
 H   -5.568400      0.2903000       1.928400    
 H   -2.351300      -2.659300     -0.2241000    
 H  -0.8466000      -4.519800     -0.2839000    
 H   -4.630800       3.400700      -1.016400    
 H   -5.560500       2.428700      -2.188800    
 H   -6.317200       3.768300      -1.326100    
 H   -7.893700      0.4174000       1.109300    
 H   -7.537700     -0.7343000     -0.2041000    
 H   -7.532300      -1.258400       1.481100    
 H    1.213800      -5.454900     -0.2771000    
 H    2.467300      -4.522600      -1.079200    
 H    2.408200      -4.629100      0.7107000    
 H    4.561300       3.561400      0.1349000    
 H    1.345200       3.307400       1.047200    
 H    2.460700       4.279400      0.1178000    
 H    1.302700       3.311900     -0.7592000    
 H    7.243800      0.9377000      5.4299999E-02
 H    6.884000       2.448900     -0.7958000    
 H    6.891500       2.401300      0.9869000    


%chk=000084136-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000084136

0 1
S 3.288514 -1.875170 -0.225195
O 0.216683 1.450785 0.284673
N -5.379670 0.900520 0.121621
N -1.750564 -0.119548 -0.048630
N 4.903715 0.152215 0.101336
C -3.907791 1.065056 0.077981
C -3.202429 -0.293250 -0.124606
C 0.602582 -0.883746 -0.131289
C -0.841857 -1.139085 -0.209306
C 1.473692 -2.011948 -0.303456
C -6.119476 2.046046 -0.474078
C -5.874898 0.529091 1.476491
C 2.525540 0.853466 0.171892
C 1.077376 0.490554 0.112912
C 1.011736 -3.330295 -0.543060
C -1.297772 -2.469771 -0.457123
C 3.570898 -0.106739 0.043303
C -0.390385 -3.521904 -0.616288
C 2.955719 2.222124 0.370061
C -6.049619 2.069673 -2.012825
C -7.199350 -0.257018 1.438254
C 1.961510 -4.501072 -0.717582
C 4.343848 2.478493 0.423141
C 5.299843 1.440287 0.292519
C 2.025014 3.408514 0.522840
C 6.786903 1.706299 0.356854
H -3.510968 1.553754 1.002560
H -3.643009 1.726483 -0.766751
H -3.509992 -0.704924 -1.107292
H -3.551996 -1.012534 0.646640
H -1.310839 0.806479 0.139377
H -7.178603 1.952447 -0.172976
H -5.759908 3.023613 -0.062674
H -5.104476 -0.103358 1.956112
H -5.988035 1.432874 2.127629
H -2.370172 -2.667385 -0.521716
H -0.770931 -4.533301 -0.803762
H -5.011955 2.177148 -2.377831
H -6.459443 1.131601 -2.425690
H -6.633096 2.919895 -2.412941
H -8.017391 0.333068 0.986866
H -7.076722 -1.177460 0.841441
H -7.513563 -0.534890 2.461746
H 1.398175 -5.432295 -0.896909
H 2.648819 -4.352722 -1.573197
H 2.594841 -4.657900 0.177352
H 4.692554 3.505981 0.570386
H 1.358889 3.289229 1.393431
H 2.615591 4.335203 0.636421
H 1.349389 3.507931 -0.342905
H 7.338747 0.763459 0.224932
H 7.099130 2.416754 -0.431142
H 7.069502 2.152270 1.328755


