%chk=000113968.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113968

0 1
 S   -1.309700      0.1353000     -0.9537000    
 N   0.9520000      0.7240000      0.2621000    
 N   -4.882400      -1.065700      0.5883000    
 N  -0.7635000       2.412300      0.2370000    
 C    2.630600      -1.054700      0.2985000    
 C    3.735900     -0.1645000     -0.2741000    
 C    1.243100     -0.6410000     -0.1791000    
 C    5.107100     -0.5891000      0.2286000    
 C   -2.710200     -4.6000001E-03  0.1789000    
 C   -3.791500     -0.9388000     -0.3498000    
 C  -0.2114000       1.186800     -3.6699999E-02
 H    2.813100      -2.096700      9.2000002E-03
 H    2.664700      -1.013900       1.394400    
 H    3.569800      0.8817000      6.0999999E-03
 H    3.722000     -0.2134000      -1.369100    
 H    1.238000     -0.7234000      -1.273600    
 H   0.5443000      -1.364500      0.2598000    
 H    5.164300     -0.5183000       1.319400    
 H    5.328800      -1.621100     -6.1500002E-02
 H    5.882700      5.6699999E-02 -0.1949000    
 H   -3.137300      0.9897000      0.3478000    
 H   -2.334900     -0.3713000       1.141300    
 H   -3.376200      -1.935200     -0.5397000    
 H   -4.185900     -0.5657000      -1.301800    
 H   -5.282400     -0.1482000      0.7817000    
 H   -4.533800      -1.411600       1.481600    
 H   -1.687100       2.665700     -9.5600002E-02
 H  -0.2464000       3.115700      0.7532000    


%chk=000113968-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113968

0 1
S -1.860211 0.862226 -1.691978
N 0.836275 1.108974 -0.715969
N -3.217728 -1.404225 1.622174
N -0.731835 2.711580 -0.004487
C 2.019139 -1.050961 -0.372572
C 3.324406 -0.413342 0.152388
C 1.244179 -0.147518 -1.360772
C 4.067221 -1.316735 1.159453
C -2.938927 0.313522 -0.211124
C -2.391779 -0.952723 0.491695
C -0.365558 1.578262 -0.725715
H 2.253801 -2.004943 -0.888856
H 1.357684 -1.303072 0.481346
H 3.078091 0.560309 0.615944
H 3.987724 -0.189596 -0.708635
H 1.914864 0.105096 -2.207872
H 0.369909 -0.695909 -1.775577
H 3.434879 -1.529048 2.042559
H 4.337980 -2.287739 0.701844
H 4.999138 -0.841652 1.518190
H -3.935630 0.130203 -0.651954
H -3.006636 1.160526 0.493599
H -1.367922 -0.751246 0.857396
H -2.309719 -1.772029 -0.245721
H -4.144085 -1.762493 1.377049
H -3.232020 -0.782031 2.434061
H -1.571029 3.221298 -0.270542
H -0.008512 3.179467 0.542378


