%chk=000173888.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173888

0 1
 S    2.845700     -9.4999999E-02  0.4195000    
 S   0.3089000      -1.783600      0.1697000    
 O    3.069400       1.199800       1.034100    
 O    3.294500      -1.328300       1.037000    
 O   -1.733400       2.636700      1.5300000E-02
 N  -0.9051000      0.4598000      7.3899999E-02
 N   0.4053000      0.8227000      0.2002000    
 N   -2.347700      -1.416900     -7.6899998E-02
 C    3.441500     -4.3200001E-02  -1.250700    
 C    1.128400     -0.2485000      0.2593000    
 C   -1.174500     -0.8909000      3.7599999E-02
 C    4.947100      9.1300003E-02  -1.298500    
 C   -1.891400       1.421200     -1.0700000E-02
 C   -3.390400     -0.5134000     -0.1672000    
 C   -3.248900      0.8260000     -0.1429000    
 C   -4.749300      -1.137800     -0.2996000    
 H    3.125500     -0.9665000      -1.744900    
 H    2.965800      0.8087000      -1.745500    
 H    5.294200      0.1216000      -2.335800    
 H    5.278100       1.008800     -0.8014000    
 H    5.435300     -0.7523000     -0.8000000    
 H   -4.090900       1.504600     -0.2160000    
 H   -5.545700     -0.3891000     -0.3680000    
 H   -4.961200      -1.772300      0.5674000    
 H   -4.795500      -1.757600      -1.201200    


%chk=000173888-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173888

0 1
S 3.038453 -0.729305 0.337105
S 0.090650 -2.082790 0.758493
O 3.465311 0.166170 1.626509
O 3.413157 -2.313863 0.253995
O -1.387783 2.276475 -1.257286
N -0.885584 0.179292 -0.252645
N 0.501994 0.366943 -0.294792
N -2.609684 -1.375955 0.409325
C 3.574546 0.213351 -1.299191
C 1.105462 -0.691568 0.182355
C -1.352071 -1.038185 0.282372
C 5.008019 0.694985 -1.123628
C -1.817298 1.210909 -0.758697
C -3.565860 -0.440706 -0.028409
C -3.198321 0.783091 -0.581942
C -4.998461 -0.868712 0.148026
H 3.426642 -0.558053 -2.071189
H 2.827307 1.019176 -1.379383
H 5.288607 1.289348 -2.013297
H 5.104739 1.343259 -0.236088
H 5.719603 -0.142680 -1.032126
H -3.956710 1.493009 -0.919682
H -5.701976 -0.100356 -0.208807
H -5.202143 -1.077709 1.213887
H -5.182898 -1.810325 -0.400205


