%chk=000118410.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118410

0 1
 S   -2.559200      -1.284500      0.3300000    
 O   -2.070000      -1.312000       1.695200    
 O   -2.821600      -2.523800     -0.3761000    
 N   -1.531700     -0.3173000     -0.6179000    
 N   -4.429200     -0.8620000      -2.054000    
 C    3.771600      0.1777000      0.1701000    
 C    2.671800       1.015300     -0.4871000    
 C    5.184800      0.5947000     -0.2513000    
 C    1.258900      0.5890000     -7.3799998E-02
 C    6.329500     -0.2217000      0.3568000    
 C   0.1608000       1.477200     -0.6690000    
 C    7.712500      0.2027000     -0.1416000    
 C   -1.234100       1.070900     -0.2032000    
 C    8.806900     -0.7017000      0.4264000    
 C    10.18730     -0.2658000     -3.8800001E-02
 C   -4.060000     -0.3507000      0.3074000    
 C   -4.826400     -0.2350000     -0.8523000    
 C   -4.473400      0.2780000       1.482100    
 C   -6.006000      0.5092000     -0.8373000    
 C   -5.653100       1.022100       1.497000    
 C   -6.419300       1.137700      0.3374000    
 H    3.685800      0.2572000       1.260700    
 H    3.620500     -0.8786000     -8.3600000E-02
 H    2.821100       2.069700     -0.2243000    
 H    2.763300      0.9443000      -1.577900    
 H    5.332200       1.651100      6.8999999E-03
 H    5.253800      0.5320000      -1.344900    
 H    1.105800     -0.4531000     -0.3786000    
 H    1.184200      0.6136000       1.020500    
 H    6.169500      -1.280900      0.1199000    
 H    6.292000     -0.1332000       1.449500    
 H   0.3396000       2.521000     -0.3851000    
 H   0.2126000       1.427900      -1.763600    
 H    7.900800       1.243500      0.1479000    
 H    7.736800      0.1623000      -1.237300    
 H   -1.977000       1.737100     -0.6540000    
 H   -1.299600       1.168900      0.8853000    
 H    8.632700      -1.738200      0.1154000    
 H    8.775000     -0.6816000       1.522000    
 H   -1.472800     -0.5039000      -1.626700    
 H    10.40610      0.7565000      0.2859000    
 H    10.95390     -0.9262000      0.3783000    
 H    10.26340     -0.3036000      -1.130200    
 H   -3.897700      0.2103000       2.400300    
 H   -6.613000      0.6080000      -1.733800    
 H   -5.974700       1.512500       2.411100    
 H   -7.337700       1.717400      0.3491000    
 H   -3.581400      -1.409100      -2.101500    
 H   -5.002300     -0.7643000      -2.882000    


%chk=000118410-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000118410

0 1
S -2.858594 -1.291060 0.416562
O -2.508409 -1.329152 1.998675
O -2.993489 -2.650853 -0.490710
N -1.461228 -0.384143 -0.370255
N -4.756757 -1.153708 -2.091887
C 3.950933 0.113727 0.215779
C 2.779842 0.985623 -0.290595
C 5.332419 0.599522 -0.277858
C 1.402495 0.509076 0.221770
C 6.504941 -0.270429 0.228838
C 0.243200 1.398743 -0.274657
C 7.887735 0.224690 -0.252028
C -1.149274 0.942772 0.220232
C 9.060743 -0.645194 0.255084
C 10.438803 -0.138128 -0.222828
C -4.435893 -0.277478 0.193085
C -5.139058 -0.322391 -1.049411
C -4.821457 0.523824 1.282314
C -6.264452 0.555331 -1.155172
C -5.944409 1.365684 1.149115
C -6.648181 1.379495 -0.082640
H 3.943373 0.099706 1.325759
H 3.792306 -0.935857 -0.107980
H 2.947682 2.038352 0.021699
H 2.779877 0.987471 -1.401274
H 5.489029 1.649435 0.048049
H 5.340954 0.614837 -1.388126
H 1.218506 -0.535546 -0.092901
H 1.404990 0.503600 1.331480
H 6.354285 -1.318526 -0.104762
H 6.490616 -0.293568 1.338817
H 0.391775 2.440567 0.076380
H 0.248288 1.440493 -1.384012
H 8.039544 1.272395 0.083069
H 7.904142 0.248799 -1.362037
H -1.914972 1.710846 -0.026306
H -1.125996 0.812323 1.317487
H 8.911644 -1.690703 -0.084012
H 9.039782 -0.672851 1.363875
H -1.643580 -0.378246 -1.389973
H 10.624869 0.893943 0.130330
H 11.259540 -0.776875 0.152618
H 10.496010 -0.128748 -1.327867
H -4.249532 0.466922 2.215133
H -6.838879 0.562646 -2.089229
H -6.264819 1.994869 1.984223
H -7.520128 2.032533 -0.201206
H -4.132830 -1.946441 -1.880069
H -5.313386 -1.167728 -2.943275


