%chk=000041684.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041684

0 1
 S    2.937100      -1.047500      0.6259000    
 O   -3.222900       1.259400     -0.4866000    
 O  -0.7480000      0.9482000      -1.361100    
 O   -2.902200       1.571900       1.810900    
 O    6.331800      0.6738000     -9.2900001E-02
 O    5.812000      -1.100600       1.098500    
 N   0.4478000     -0.6079000     -6.6600002E-02
 N    2.144900      0.8942000     -0.8857000    
 N    5.471000     -0.1360000      0.3558000    
 C   -1.946500     -0.7673000     -0.3520000    
 C   -3.162600     -8.7399997E-02 -0.2869000    
 C  -0.7071000     -5.7000000E-02 -0.6353000    
 C   -1.906300      -2.146200     -0.1448000    
 C   -4.338600     -0.7862000     -1.4100000E-02
 C   -3.082300      -2.845100      0.1278000    
 C    1.758200     -0.1395000     -0.2041000    
 C   -4.298400      -2.165100      0.1931000    
 C    4.122000      3.7999999E-02  2.6699999E-02
 C    3.515700       1.000100     -0.7535000    
 C   -3.072500       2.018800      0.6844000    
 C   -3.153400       3.481100      0.3604000    
 H  -0.9891000      -2.722800     -0.2224000    
 H   -5.290000     -0.2637000      3.7099998E-02
 H   0.3747000      -1.415000      0.5458000    
 H   -3.052900      -3.919900      0.2808000    
 H   -5.214300      -2.709500      0.4032000    
 H    4.024700       1.811700      -1.257500    
 H   -2.353500       3.749400     -0.3341000    
 H   -3.029600       4.063500       1.277800    
 H   -4.131200       3.710100     -7.0299998E-02


%chk=000041684-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041684

0 1
S 2.807735 -0.405594 1.308697
O -3.443464 1.242999 -0.042246
O -0.767048 0.905432 -1.444219
O -1.734122 1.496021 1.547274
O 6.242565 0.904669 -0.295963
O 5.739195 0.025135 1.769243
N 0.301017 -0.565700 0.068835
N 2.146883 0.327841 -1.216756
N 5.417575 0.406604 0.570556
C -2.086977 -0.828215 -0.343321
C -3.322089 -0.172005 -0.093515
C -0.830930 -0.059082 -0.649141
C -2.079535 -2.246505 -0.401276
C -4.512893 -0.903110 0.077595
C -3.268025 -2.987960 -0.233172
C 1.620272 -0.188019 -0.108046
C -4.487815 -2.312431 0.000440
C 4.043593 0.267674 0.174674
C 3.496358 0.592077 -1.063696
C -2.558596 2.014130 0.771547
C -2.786134 3.477268 0.509219
H -1.140190 -2.766462 -0.622091
H -5.441123 -0.357975 0.271706
H 0.075285 -1.131982 0.891237
H -3.244289 -4.080323 -0.295932
H -5.416563 -2.878237 0.126281
H 4.068885 1.013125 -1.890282
H -2.318496 3.733167 -0.459601
H -2.321059 4.078671 1.303285
H -3.861518 3.702287 0.428967


