%chk=000051414.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051414

0 1
 S    5.010800     -0.4519000      -1.673300    
 O    6.128700     -0.9503000      -2.452600    
 O    4.139900      0.5759000      -2.208000    
 O    1.233900      -1.652400       2.769400    
 O   -5.174000       3.120700     -0.6558000    
 N  -0.9424000     -0.8115000       1.195500    
 N    4.098500      -1.798500      -1.107100    
 N   -4.579800      0.4401000     -0.4689000    
 C    5.678500      0.1439000     -0.1359000    
 C    6.553300       1.369500     -0.3498000    
 C   -2.175700     -0.3871000      0.6310000    
 C   -2.464500      0.9786000      0.5432000    
 C   -3.090400      -1.338700      0.1686000    
 C    7.141800       1.867800      0.9687000    
 C   -3.695400       1.352600     -2.1900000E-02
 C   0.3164000      -1.059700      0.6327000    
 C    2.821600      -1.549200     -0.5194000    
 C   -4.297000     -0.8740000     -0.3816000    
 C    1.391500      -1.477900       1.426600    
 C    2.639200      -1.721800      0.8527000    
 C   0.5084000     -0.8892000     -0.7438000    
 C    1.756200      -1.132800      -1.317700    
 C   -1.564200       1.956500       1.000700    
 C   -3.988600       2.710800     -0.1121000    
 C   -2.826600      -2.717400      0.2448000    
 C    7.986000       3.115900      0.7657000    
 C   -5.212000      -1.816600     -0.8431000    
 C   -1.881400       3.307700      0.8993000    
 C   -3.096100       3.685300      0.3416000    
 C   -3.758200      -3.639300     -0.2234000    
 C   -4.953300      -3.187500     -0.7682000    
 C    1.485900     -0.5234000       3.602800    
 C   -5.190900       3.354000      -2.060600    
 H    6.255400     -0.6722000      0.3107000    
 H    4.838100      0.3936000      0.5186000    
 H    7.365600       1.132100      -1.047600    
 H    5.964100       2.168900     -0.8156000    
 H    7.760000       1.083300       1.420600    
 H    6.334800       2.092700       1.675700    
 H   -1.007900     -0.9928000       2.192700    
 H    4.645500      -2.523800     -0.6239000    
 H    3.467500      -2.045900       1.478400    
 H  -0.3029000     -0.5686000      -1.392300    
 H    1.879100      -1.006300      -2.390200    
 H  -0.6077000       1.696000       1.446100    
 H   -1.904200      -3.105100      0.6695000    
 H    8.398100       3.454200       1.721500    
 H    8.821400       2.918100      8.6499996E-02
 H    7.387300       3.930800      0.3465000    
 H   -6.155700      -1.487600      -1.274400    
 H   -1.184900       4.060900       1.254600    
 H   -3.346700       4.739700      0.2620000    
 H   -3.552700      -4.703600     -0.1621000    
 H   -5.687300      -3.898400      -1.136300    
 H    1.289700     -0.8121000       4.639000    
 H    2.532100     -0.2126000       3.518600    
 H   0.8258000      0.3096000       3.341500    
 H   -4.934000       2.442200      -2.609000    
 H   -4.496900       4.158200      -2.324700    
 H   -6.201700       3.658600      -2.345400    


%chk=000051414-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051414

0 1
S 5.591801 -0.546518 -1.393699
O 7.098452 -1.152627 -1.549744
O 4.934688 0.376179 -2.562327
O 0.925122 -2.385327 2.467434
O -3.997381 3.719075 -1.552774
N -0.787037 -1.053468 0.991686
N 4.328451 -2.173125 -1.175362
N -4.249813 1.004957 -0.488429
C 5.551596 0.535213 0.251923
C 6.052122 1.946353 -0.052999
C -1.901054 -0.355838 0.465889
C -1.809651 1.006230 0.023489
C -3.170406 -1.018106 0.465784
C 5.978645 2.847326 1.208353
C -3.031268 1.625758 -0.503422
C 0.478605 -1.251449 0.423185
C 3.080625 -1.861592 -0.596104
C -4.331610 -0.268781 0.006588
C 1.429920 -1.982347 1.213982
C 2.718246 -2.253036 0.734277
C 0.857911 -0.850114 -0.886077
C 2.131267 -1.156120 -1.391983
C -0.615920 1.789743 0.153986
C -2.944935 2.994272 -1.001663
C -3.352023 -2.384921 0.878017
C 6.479057 4.278763 0.914643
C -5.626238 -0.895104 0.044962
C -0.599426 3.115240 -0.277718
C -1.748292 3.710312 -0.873957
C -4.619715 -2.963023 0.893180
C -5.771406 -2.206744 0.486756
C 1.797354 -3.184720 3.330397
C -5.151784 3.078995 -2.213654
H 6.199274 -0.041589 0.932599
H 4.495050 0.503207 0.567668
H 7.096342 1.904446 -0.417231
H 5.440571 2.386769 -0.862714
H 6.585390 2.401383 2.021739
H 4.933207 2.886213 1.575154
H -0.943355 -1.609701 1.838567
H 4.923777 -2.784678 -0.580069
H 3.445959 -2.789217 1.353599
H 0.138324 -0.318680 -1.513794
H 2.416541 -0.869805 -2.408080
H 0.274287 1.349659 0.608130
H -2.481736 -2.990028 1.155519
H 6.423725 4.913657 1.817447
H 7.529800 4.268700 0.570627
H 5.871187 4.756973 0.124559
H -6.480547 -0.299484 -0.291270
H 0.310935 3.714187 -0.168313
H -1.726170 4.741965 -1.236956
H -4.741562 -4.006658 1.202991
H -6.761308 -2.675148 0.510624
H 1.195743 -3.414170 4.221684
H 2.100146 -4.123085 2.827694
H 2.695893 -2.609738 3.625299
H -5.859067 2.684007 -1.470470
H -4.825839 2.253861 -2.870514
H -5.600472 3.891499 -2.808008


