%chk=000065759.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065759

0 1
 S    3.609900      -1.768100      5.5799998E-02
 O  -0.6487000      -1.600100       1.684000    
 O  -0.8237000      -4.037500      -2.007200    
 O   -2.263700      -3.700400     -0.2858000    
 O    3.666900      -2.455200       1.384600    
 N   -2.074800     -0.3832000      0.2902000    
 N   -2.474200     -0.2193000      -1.027200    
 C  -0.4895000      -2.081600     -0.6615000    
 C   0.9835000      -2.462900     -0.4091000    
 C    1.883100      -1.248400     -0.1982000    
 C   -1.062500      -1.319600      0.5558000    
 C   -1.295800      -3.339500     -0.9436000    
 C   -2.676900      0.3801000       1.349200    
 C    4.296400     -0.1187000      0.3035000    
 C   -1.936300      0.8063000      -1.822100    
 C   -1.935000      0.7012000       2.486100    
 C   -4.002500      0.8002000       1.239900    
 C    4.359100      0.4254000       1.586500    
 C    4.764800      0.6129000     -0.7879000    
 C   -2.518900       1.442200       3.513600    
 C   -4.586200       1.541300       2.267400    
 C   -2.442200       1.035200      -3.101700    
 C  -0.8960000       1.595700      -1.331700    
 C   -3.844300       1.862300       3.404300    
 C    4.889800       1.701000       1.778000    
 C    5.295600       1.888500     -0.5963000    
 C    5.358200       2.432500      0.6866000    
 C   -1.907400       2.053400      -3.891200    
 C  -0.3615000       2.613800      -2.121200    
 C  -0.8672000       2.842600      -3.400900    
 H  -0.5175000      -1.467000      -1.563700    
 H    1.051700      -3.135000      0.4571000    
 H    1.365900      -3.041400      -1.260400    
 H    1.851800     -0.6000000      -1.080100    
 H    1.575100     -0.6653000      0.6744000    
 H   -3.242200     -0.7880000      -1.359600    
 H  -0.8827000      0.4606000       2.592800    
 H   -4.604000      0.5560000      0.3684000    
 H    3.995700     -0.1221000       2.451800    
 H    4.722000      0.2023000      -1.793500    
 H   -1.937100       1.706100       4.392000    
 H   -5.618700       1.867700       2.183100    
 H   -1.349500      -4.848200      -2.175400    
 H   -3.252400      0.4266000      -3.494900    
 H  -0.4635000       1.448100     -0.3468000    
 H   -4.297900       2.442100       4.202800    
 H    4.937200       2.125500       2.776500    
 H    5.660000       2.458500      -1.446000    
 H    5.771000       3.425900      0.8357000    
 H   -2.300900       2.231400      -4.887700    
 H   0.4506000       3.226700      -1.741000    
 H  -0.4503000       3.634800      -4.015900    


%chk=000065759-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000065759

0 1
S 3.779597 -1.722367 -0.482690
O -0.456530 -1.457032 1.713846
O -0.830832 -4.371169 -0.775947
O -2.608051 -3.012727 -1.349587
O 3.920115 -2.720559 0.855250
N -2.054865 -0.328925 0.400271
N -2.596700 -0.200618 -0.899184
C -0.466185 -1.961592 -0.690735
C 1.016794 -2.370693 -0.527837
C 1.915478 -1.133968 -0.433114
C -0.983173 -1.223439 0.592780
C -1.409029 -3.130754 -0.977072
C -2.700759 0.446914 1.448515
C 4.512075 -0.056810 0.105647
C -2.072296 0.758019 -1.800612
C -2.205698 0.493014 2.780965
C -3.860587 1.191528 1.107073
C 4.960038 -0.026593 1.435531
C 4.633957 1.038354 -0.769467
C -2.876977 1.278855 3.743488
C -4.516444 1.969441 2.082208
C -2.477484 0.695883 -3.163545
C -1.173411 1.775023 -1.380562
C -4.030888 2.020861 3.408564
C 5.540668 1.169031 1.919340
C 5.216192 2.229560 -0.272249
C 5.666172 2.293211 1.068316
C -1.985792 1.640518 -4.087027
C -0.692936 2.714095 -2.319474
C -1.090044 2.656787 -3.675001
H -0.572436 -1.274624 -1.550595
H 1.146278 -2.984560 0.378413
H 1.301206 -2.993651 -1.396595
H 1.815656 -0.439152 -1.286270
H 1.808950 -0.605086 0.526514
H -3.014827 -1.070436 -1.260725
H -1.323979 -0.083207 3.058661
H -4.238265 1.153756 0.083090
H 4.845825 -0.930873 2.048345
H 4.294933 0.978829 -1.810618
H -2.486551 1.303638 4.766998
H -5.410250 2.536497 1.799633
H -1.500955 -5.088694 -0.946209
H -3.174908 -0.085208 -3.489557
H -0.869069 1.840221 -0.331385
H -4.542325 2.626001 4.164659
H 5.896733 1.221477 2.954026
H 5.321735 3.099062 -0.930358
H 6.120049 3.216024 1.446546
H -2.305057 1.582075 -5.133760
H -0.006199 3.499187 -1.983143
H -0.714650 3.390271 -4.395859


