%chk=000080708.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080708

0 1
 S   -3.375500      -2.758700      0.1680000    
 S   -4.126200       2.687700     -0.2360000    
 O   0.8946000       2.104800     -1.4000000E-02
 O   -3.944200      -2.586300      -1.351900    
 O   -4.529900       3.044200       1.307600    
 O   -3.115700      -4.172600      0.3735000    
 O   -4.239300      -2.016200       1.067400    
 O   -3.736200       3.937300     -0.8724000    
 O   -5.184700       1.865800     -0.8016000    
 O    3.260700      -2.015200     -0.7855000    
 N    2.020500     -0.2759000      0.1938000    
 C   -1.709000     -0.5332000      7.2999999E-02
 C  -0.4222000      5.5500001E-02  7.9700001E-02
 C   -1.826000      -1.929600      0.1656000    
 C   0.7101000     -0.7695000      0.1788000    
 C   -2.841200      0.2918000     -2.6100000E-02
 C  -0.3053000       1.451900     -1.3100000E-02
 C   -2.706400       1.677500     -0.1168000    
 C  -0.6902000      -2.734000      0.2637000    
 C   0.5753000      -2.155100      0.2706000    
 C   -1.440800       2.256400     -0.1104000    
 C    3.178900     -0.9044000     -0.2725000    
 C    4.435600     -0.1315000     -9.0899996E-02
 C    5.483600     -0.3519000     -0.9597000    
 C    4.512200      0.7804000      0.9405000    
 C    6.662900      0.3732000     -0.7890000    
 C    5.691400       1.505600       1.111200    
 C    6.766800       1.302000      0.2464000    
 H   -3.845300     -0.1063000     -7.7500001E-02
 H  -0.7490000      -3.815200      0.3448000    
 H    1.421100      -2.822800      0.3980000    
 H   -1.334000       3.336500     -0.1731000    
 H    2.093300      0.7177000      0.3892000    
 H   0.7510000       3.063700     -8.6400002E-02
 H   -3.388900      -2.989100      -2.060200    
 H   -3.851500       3.547300       1.816500    
 H    5.417200      -1.066700      -1.774500    
 H    3.710800      0.9433000       1.654000    
 H    7.500000      0.2156000      -1.462900    
 H    5.775700       2.223500       1.921900    
 H    7.685500       1.865500      0.3803000    


%chk=000080708-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080708

0 1
S -3.434138 -2.855956 0.064437
S -4.131046 2.781969 -0.015487
O 1.033179 2.042480 -0.077908
O -3.928115 -2.377303 -1.663011
O -4.298548 2.878169 1.827493
O -3.179764 -4.448755 0.150467
O -4.497607 -2.160920 1.072791
O -3.670175 4.229577 -0.573405
O -5.428751 2.032557 -0.618719
O 3.460809 -2.260303 -0.173970
N 2.113416 -0.328590 -0.039755
C -1.675388 -0.562260 0.017127
C -0.334453 0.012419 -0.011952
C -1.775485 -1.989026 0.026878
C 0.820534 -0.881774 -0.028038
C -2.833957 0.284008 0.037117
C -0.249890 1.453789 -0.043042
C -2.639046 1.650520 0.001952
C -0.672631 -2.833433 -0.002892
C 0.626226 -2.280131 -0.025527
C -1.376155 2.276682 -0.038238
C 3.348090 -1.001389 -0.065630
C 4.555653 -0.108180 0.028516
C 5.789761 -0.639761 -0.428194
C 4.524540 1.200140 0.582206
C 6.968217 0.129653 -0.356717
C 5.708054 1.965589 0.660775
C 6.930359 1.436447 0.185349
H -3.839829 -0.142358 0.077941
H -0.813320 -3.919003 -0.004332
H 1.503767 -2.926871 -0.053023
H -1.305913 3.369863 -0.080364
H 2.139171 0.700287 -0.061787
H 0.987434 3.025921 -0.155894
H -4.894829 -2.614514 -1.776498
H -5.182834 3.301779 2.032383
H 5.798680 -1.659271 -0.826865
H 3.597969 1.617060 0.994831
H 7.914281 -0.287024 -0.718109
H 5.680622 2.967472 1.102727
H 7.846810 2.033438 0.246365


