%chk=000035549.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035549

0 1
 S   0.6433000     -0.3945000      -1.978200    
 S    3.811600      -1.367300     -0.8032000    
 P    2.045400     -0.6170000     -0.3840000    
 O    2.155700      0.8299000      0.3705000    
 O    1.294700      -1.443100      0.8113000    
 N  -0.6604000       1.191300     -0.2727000    
 N   -1.850400     -0.7268000      -1.086700    
 N   -2.911300      0.7802000      0.4500000    
 C    2.759800       1.934400     -0.2827000    
 C   0.9620000      -2.810700      0.6382000    
 C  -0.7756000      7.3399998E-02  -1.007000    
 C    2.724700       3.133100      0.6412000    
 C   0.2816000      -3.315300       1.892800    
 C   -1.767200       1.482700      0.4296000    
 C   -2.880100     -0.3113000     -0.3315000    
 C   -1.720500       2.709700       1.275300    
 C   -4.113300      -1.148700     -0.3631000    
 H    3.797200       1.696400     -0.5334000    
 H    2.216600       2.157300      -1.205500    
 H   0.2937000      -2.921900     -0.2203000    
 H    1.869000      -3.393500      0.4554000    
 H    3.183700       4.005400      0.1677000    
 H    1.692800       3.380100      0.9122000    
 H    3.255500       2.916700       1.574100    
 H   1.1600000E-02  -4.370400       1.794000    
 H   0.9377000      -3.197700       2.761600    
 H  -0.6251000      -2.736200       2.097700    
 H   -1.376300       3.563200      0.6833000    
 H   -2.707700       2.951000       1.681500    
 H   -1.029400       2.558800       2.110100    
 H   -4.380100      -1.392600      -1.396100    
 H   -3.943200      -2.079500      0.1862000    
 H   -4.959600     -0.6257000      9.3199998E-02


%chk=000035549-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000035549

0 1
S 0.441582 -0.682071 -1.973252
S 3.852681 -1.539042 -1.257842
P 2.168840 -0.752256 -0.362829
O 2.273465 0.754597 0.455798
O 1.449661 -1.587070 0.967206
N -0.756192 1.064653 -0.208903
N -2.178230 -0.575769 -1.287481
N -3.125154 0.994223 0.297612
C 2.503449 1.987933 -0.356003
C 1.416207 -3.081616 0.915966
C -0.973303 0.008950 -1.040802
C 2.711689 3.109306 0.656110
C 0.857409 -3.525881 2.263738
C -1.863915 1.503946 0.475517
C -3.242279 -0.024709 -0.615717
C -1.671775 2.618419 1.464356
C -4.606090 -0.595787 -0.880789
H 3.391698 1.838781 -0.999994
H 1.604071 2.156371 -0.975892
H 0.767666 -3.394674 0.075385
H 2.441924 -3.458698 0.744108
H 2.879758 4.063647 0.123482
H 1.820709 3.216503 1.297494
H 3.586052 2.905490 1.296522
H 0.800957 -4.629731 2.294970
H 1.506686 -3.184083 3.086977
H -0.155693 -3.119712 2.422536
H -1.334902 3.534877 0.945915
H -2.613496 2.824339 1.992894
H -0.881654 2.348262 2.186883
H -4.768571 -0.711769 -1.965592
H -4.685791 -1.604982 -0.435296
H -5.381061 0.048953 -0.441576


