%chk=000099985.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099985

0 1
 S  -0.7403000      -1.135000       1.442800    
 O   -4.365400      0.1315000      3.0600000E-02
 O   -2.766000       1.753600     -5.0700001E-02
 N  -0.8905000      2.6600000E-02 -0.9532000    
 N    4.116100      7.0000000E-02 -0.2087000    
 C   -2.220700     -0.5174000     -0.6797000    
 C  -0.1608000      0.1719000      0.3117000    
 C   -2.085500      -1.642000      0.3395000    
 C    1.339100      0.1361000      0.1295000    
 C   -3.112800      0.5922000     -0.2064000    
 C    2.119700       1.217500      0.5281000    
 C    1.949700     -0.9784000     -0.4385000    
 C    3.490000       1.135500      0.3392000    
 C    3.327500     -0.9620000     -0.5842000    
 H   -2.649500     -0.8958000      -1.614800    
 H  -0.4398000       1.122300      0.7808000    
 H   -2.992800      -1.827500      0.9205000    
 H   -1.785000      -2.573800     -0.1505000    
 H  -0.9375000      0.9110000      -1.456200    
 H    1.682100       2.103900      0.9743000    
 H    1.381900      -1.841700     -0.7688000    
 H    4.140900       1.952200      0.6335000    
 H    3.849700      -1.805900      -1.022700    
 H   -4.964300      0.8426000      0.3434000    


%chk=000099985-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099985

0 1
S -0.821396 -0.862890 1.654676
O -4.449872 0.084801 0.139491
O -2.943300 1.785029 -0.353734
N -0.888010 -0.137456 -0.948019
N 4.186957 0.029293 -0.174680
C -2.247876 -0.589886 -0.653794
C -0.157086 0.311495 0.250932
C -2.103037 -1.624867 0.483370
C 1.344571 0.209550 0.093944
C -3.203687 0.566441 -0.271682
C 2.198879 1.160892 0.701499
C 1.942891 -0.833292 -0.655575
C 3.598191 1.029670 0.545248
C 3.348822 -0.880635 -0.762377
H -2.683522 -1.080866 -1.546372
H -0.446715 1.325930 0.590932
H -3.042827 -1.776751 1.032051
H -1.714323 -2.574686 0.088801
H -0.801191 0.509376 -1.740934
H 1.787960 1.992358 1.285742
H 1.310226 -1.579818 -1.143950
H 4.282926 1.750632 1.006306
H 3.841127 -1.673867 -1.336555
H -5.053907 0.846947 0.354180


