%chk=000106274.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106274

1 1
 S    4.582800      0.6683000      0.1108000    
 O    5.106000      0.3453000      -1.403200    
 O    4.798800       2.087900      0.3429000    
 O    5.147500     -0.3268000       1.007600    
 O   -2.128600       1.973800      0.1675000    
 N   -1.284700     -0.2068000     -2.7600000E-02
 N    3.176800      -1.996500     -0.1526000    
 N    3.837500      -2.861400     -0.2266000    
 C    2.856600      0.3882000      6.6299997E-02
 C   0.1171000     -5.7000001E-03  4.4999998E-03
 C    2.340100     -0.9015000     -5.8699999E-02
 C   0.9597000      -1.100000     -8.9800000E-02
 C    1.992600       1.479400      0.1600000    
 C   0.6124000       1.280800      0.1290000    
 C   -3.664700      0.2334000      1.8600000E-02
 C   -2.306000      0.7504000      5.1899999E-02
 C   -4.702500       1.030300     -0.4649000    
 C   -3.930400      -1.059600      0.4698000    
 C   -6.005800      0.5344000     -0.4970000    
 C   -5.233800      -1.555400      0.4375000    
 C   -6.271400     -0.7583000     -4.6000000E-02
 H   0.5592000      -2.106000     -0.1870000    
 H    2.363300       2.495700      0.2560000    
 H   1.1400000E-02   2.174300      0.2063000    
 H   -1.548600      -1.178900     -0.1631000    
 H   -4.516500       2.038500     -0.8261000    
 H   -3.163600      -1.703200      0.8905000    
 H   -6.813900       1.154500     -0.8741000    
 H   -5.442900      -2.558800      0.7969000    
 H   -7.286600      -1.143800     -6.9300003E-02
 H    4.730700      0.9192000      -2.111800    


%chk=000106274-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000106274

1 1
S 4.737738 0.731998 0.115986
O 4.906846 0.784683 -1.709266
O 5.068773 2.156784 0.779321
O 5.337657 -0.670562 0.672464
O -2.107251 1.943621 -0.199651
N -1.300455 -0.252104 -0.023971
N 3.188135 -1.986783 -0.046343
N 3.688545 -3.027495 -0.114688
C 2.886895 0.453587 0.058603
C 0.067568 0.005238 -0.001865
C 2.363051 -0.865699 -0.007275
C 0.962225 -1.102504 -0.034811
C 2.010559 1.539108 0.085404
C 0.614452 1.331968 0.067153
C -3.740027 0.152910 -0.027251
C -2.362544 0.712780 -0.083643
C -4.794925 1.002943 -0.459729
C -4.044435 -1.152804 0.452932
C -6.126816 0.547413 -0.435744
C -5.379930 -1.602083 0.479566
C -6.422023 -0.756530 0.028998
H 0.587274 -2.130434 -0.083980
H 2.412804 2.556240 0.144844
H -0.076078 2.178303 0.091332
H -1.593533 -1.232168 -0.055910
H -4.548518 2.010435 -0.809369
H -3.269613 -1.814749 0.862361
H -6.933398 1.204216 -0.775423
H -5.612414 -2.600974 0.861534
H -7.458098 -1.109593 0.050145
H 5.830035 1.083954 -1.963424


