%chk=000030759.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030759

0 1
 S   -2.323200      -2.205000      0.8172000    
 O  -0.2920000      0.6904000      -1.889200    
 N    1.680400     -0.3153000     -0.2676000    
 N    4.251200      0.6272000      0.6606000    
 C   0.3050000     -0.7628000     -5.7599999E-02
 C    1.860100       1.060500      0.2121000    
 C    2.629400      -1.217800      0.3957000    
 C    3.303000       1.530000     -3.5000001E-03
 C    4.071900     -0.7479000      0.1788000    
 C   0.1228000      -2.204400     -0.5326000    
 C  -0.6145000      0.1653000     -0.8257000    
 C   -1.332200      -2.658100     -0.6363000    
 C   -1.966500      0.4391000     -0.2621000    
 C    5.626900       1.074900      0.4527000    
 C   -2.734700     -0.4909000      0.4655000    
 C   -2.461000       1.737200     -0.4823000    
 C   -3.975600     -7.0400000E-02  0.9818000    
 C   -3.697700       2.125200      2.8100001E-02
 C   -4.453200       1.223000      0.7645000    
 H   7.6200001E-02 -0.6849000       1.013600    
 H    1.220200       1.776700     -0.3128000    
 H    1.611300       1.134700       1.280000    
 H    2.420500      -1.292300       1.471400    
 H    2.587000      -2.227600     -2.4499999E-02
 H    3.512700       1.597000      -1.079800    
 H    3.402900       2.540100      0.4123000    
 H    4.740900      -1.422100      0.7275000    
 H    4.330500     -0.8263000     -0.8861000    
 H   0.6198000      -2.895200      0.1603000    
 H   0.5881000      -2.352500      -1.516500    
 H   -1.804500      -2.260000      -1.541400    
 H   -1.357600      -3.749200     -0.7320000    
 H    6.327800      0.4241000      0.9870000    
 H    5.767200       2.084500      0.8544000    
 H    5.904700       1.084000     -0.6076000    
 H   -1.881400       2.470400      -1.039000    
 H   -4.600200     -0.7525000       1.556800    
 H   -4.065700       3.132300     -0.1437000    
 H   -5.416100       1.520900       1.168800    


%chk=000030759-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030759

0 1
S -2.337761 -2.206745 0.897519
O -0.313156 0.686530 -1.971701
N 1.712866 -0.334589 -0.258186
N 4.305131 0.633387 0.661812
C 0.307876 -0.790819 -0.104974
C 1.897358 1.053066 0.251159
C 2.700607 -1.242945 0.383571
C 3.332745 1.540755 0.009158
C 4.134188 -0.740885 0.141407
C 0.115243 -2.256772 -0.591437
C -0.664231 0.121985 -0.897240
C -1.361868 -2.661881 -0.668948
C -2.024683 0.408746 -0.306674
C 5.694668 1.113418 0.543200
C -2.780766 -0.463582 0.531862
C -2.561958 1.697246 -0.599927
C -4.001368 -0.016719 1.100941
C -3.766234 2.140933 -0.028679
C -4.481165 1.282229 0.842817
H -0.013525 -0.761557 0.969312
H 1.204923 1.723829 -0.284029
H 1.676262 1.111618 1.347031
H 2.528978 -1.324526 1.487456
H 2.614961 -2.251614 -0.055552
H 3.507717 1.606612 -1.094711
H 3.449394 2.554579 0.436288
H 4.844295 -1.410817 0.662440
H 4.349774 -0.794388 -0.957172
H 0.639528 -2.940758 0.098976
H 0.575144 -2.353614 -1.594460
H -1.889106 -2.185717 -1.513041
H -1.477498 -3.755130 -0.752741
H 6.371473 0.434277 1.092645
H 5.779680 2.118781 0.993596
H 6.053554 1.177743 -0.515943
H -1.986326 2.337436 -1.276667
H -4.584164 -0.702715 1.725098
H -4.146876 3.142530 -0.253540
H -5.421278 1.612373 1.298135


