%chk=000135753.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135753

0 1
 S    7.878500     -7.9300001E-02  0.4619000    
 O   -3.451800      0.2296000      0.8835000    
 O   -5.134000       2.372900     -2.4499999E-02
 O   -5.072300      -2.141400      0.9043000    
 O    2.185000     -0.3209000      -1.188100    
 O   -2.876200     -0.2776000      -1.295000    
 O    1.609600      0.2177000       1.013800    
 N   -4.791900      0.1224000      0.4512000    
 C   -6.852400      0.7051000     -0.3764000    
 C   -6.832100     -0.7935000     -6.7900002E-02
 C   -5.494700       1.207700      3.4000002E-02
 C   -5.463800      -1.057500      0.5001000    
 C   -1.164000      0.1205000      0.3893000    
 C  -0.1065000     -0.1432000     -0.6800000    
 C   -2.577000     -9.8000001E-03 -0.1392000    
 C    1.306000     -5.2400000E-02 -0.1402000    
 C    3.525700     -0.2638000     -0.8003000    
 C    4.130400      -1.412600     -0.3405000    
 C    4.190600      0.9388000     -0.8921000    
 C    6.168500     -0.1516000     -3.4499999E-02
 C    5.469200      -1.355600      4.7499999E-02
 C    5.529200      0.9956000     -0.5043000    
 C    7.823800       1.148800       1.797400    
 H   -7.627700       1.218400      0.1999000    
 H   -7.008700      0.8891000      -1.443300    
 H   -7.596600      -1.057500      0.6686000    
 H   -6.977900      -1.388000     -0.9745000    
 H   -1.038800       1.133800      0.7884000    
 H   -1.040900     -0.5938000       1.211900    
 H  -0.2479000      -1.147100      -1.097100    
 H  -0.2121000      0.5876000      -1.490100    
 H    3.586200      -2.349600     -0.2773000    
 H    3.693400       1.830900      -1.259800    
 H    5.950300      -2.260200      0.4114000    
 H    6.055900       1.943400     -0.5836000    
 H    7.551800       2.133100       1.407900    
 H    7.102500      0.8475000       2.561900    
 H    8.812500       1.220000       2.258500    


%chk=000135753-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135753

0 1
S 8.187068 -0.268624 0.126022
O -3.750831 0.263925 0.867608
O -5.280989 2.385153 -0.380466
O -5.274630 -2.199306 0.716797
O 2.135239 -0.666715 -0.231761
O -2.955229 -0.229900 -1.304612
O 1.301042 1.299501 0.761668
N -5.057582 0.129960 0.319732
C -7.098700 0.679817 -0.707162
C -7.096962 -0.830574 -0.342801
C -5.738362 1.231921 -0.268341
C -5.734042 -1.121004 0.294996
C -1.375588 0.306574 0.540493
C -0.224288 -0.375543 -0.221046
C -2.704380 0.065082 -0.131757
C 1.121894 0.207573 0.179370
C 3.541682 -0.433563 -0.079272
C 4.336426 -1.489908 -0.579766
C 4.134916 0.709576 0.499734
C 6.355722 -0.266290 0.077004
C 5.737194 -1.407091 -0.501768
C 5.545795 0.781314 0.571493
C 8.573626 1.376653 0.939800
H -7.894450 1.246349 -0.194378
H -7.215163 0.859095 -1.789265
H -7.889436 -1.101244 0.375530
H -7.216344 -1.484358 -1.223010
H -1.202398 1.400585 0.575682
H -1.429848 -0.023328 1.591678
H -0.214050 -1.466876 -0.060174
H -0.353148 -0.229066 -1.311337
H 3.847535 -2.361903 -1.023773
H 3.520523 1.522760 0.886776
H 6.349303 -2.227969 -0.890614
H 5.992465 1.672638 1.021965
H 8.198377 2.212356 0.328746
H 8.157153 1.416166 1.958409
H 9.672260 1.423765 0.990603


