%chk=000013296.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013296

0 1
 S    2.859100      0.7051000     -0.3757000    
 S   -3.422400      0.7547000      6.7599997E-02
 O    3.280700     -0.2835000      -1.352600    
 O    3.234100       2.099400     -0.5370000    
 O   -3.823200       2.025800     -0.5099000    
 O   -3.996200     -0.4862000     -0.4235000    
 N   -3.616300      0.8247000       1.761500    
 C    1.108600      0.6103000     -0.2492000    
 C   0.4164000     -0.6088000     -0.1651000    
 C  -0.9953000     -0.5976000     -6.5499999E-02
 C   -1.673200      0.6323000     -5.2999999E-02
 C    3.434300      0.1866000       1.222300    
 C   0.4189000       1.823000     -0.2353000    
 C  -0.9693000       1.833900     -0.1374000    
 C    1.094300      -1.838600     -0.1778000    
 C   -1.687500      -1.816700      1.8400000E-02
 C    4.944500      0.2054000       1.301000    
 C   0.3905000      -3.040300     -9.3400002E-02
 C  -0.9979000      -3.029300      4.4999998E-03
 H    3.013200      0.8773000       1.959800    
 H    3.069700     -0.8178000       1.439600    
 H   0.9286000       2.779900     -0.2934000    
 H   -1.474500       2.795400     -0.1176000    
 H    2.169500      -1.942200     -0.2346000    
 H   -2.737900      -1.945500      0.2135000    
 H    5.277800     -0.1046000       2.296200    
 H    5.386800     -0.4753000      0.5666000    
 H    5.340000       1.207700       1.107900    
 H   0.9263000      -3.985200     -9.4499998E-02
 H   -1.540800      -3.965800      9.6600004E-02
 H   -3.903900       1.720900       2.173100    
 H   -4.018200      3.8000001E-03   2.230500    


%chk=000013296-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013296

0 1
S 3.006243 0.676406 -0.441508
S -3.534338 0.879927 0.126946
O 3.609522 -0.530804 -1.371590
O 3.348323 2.241368 -0.782311
O -3.830227 2.469448 -0.067273
O -4.368156 -0.240101 -0.707035
N -3.768945 0.391946 1.886115
C 1.088706 0.565395 -0.325575
C 0.407827 -0.688969 -0.206494
C -1.046764 -0.641155 -0.055788
C -1.650030 0.657576 -0.068491
C 3.598403 0.349218 1.389079
C 0.460034 1.800952 -0.364063
C -0.959607 1.850318 -0.233842
C 1.061705 -1.965987 -0.231442
C -1.771610 -1.869157 0.084866
C 5.122197 0.297040 1.390869
C 0.321252 -3.139575 -0.085040
C -1.097013 -3.090512 0.080087
H 3.168832 1.195820 1.947632
H 3.114221 -0.601553 1.665733
H 1.056968 2.709938 -0.498373
H -1.503053 2.800270 -0.264520
H 2.139015 -2.008279 -0.424343
H -2.860905 -1.841602 0.170501
H 5.477379 0.075771 2.414273
H 5.492241 -0.495277 0.717617
H 5.556830 1.260757 1.075563
H 0.829391 -4.109015 -0.116038
H -1.662080 -4.022438 0.184284
H -3.669638 1.223500 2.492368
H -4.700020 -0.052428 1.961396


