%chk=000094170.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094170

0 1
 S   -3.990200       1.609100      4.7899999E-02
 O   -4.200000      -2.210200     -0.4042000    
 O    6.049800     -4.1900001E-02 -0.7796000    
 O    4.967800      -1.125600      0.8963000    
 N   -2.821200     -0.6486000      0.6057000    
 C   -1.288600       1.150600     -2.0500001E-02
 C  -3.2800000E-02  0.4270000      0.4701000    
 C   -2.548700      0.7614000      0.7371000    
 C    1.237400      0.8419000     -0.2768000    
 C    2.455600      6.0899999E-02  0.2289000    
 C   -4.629200      0.1297000     -0.7648000    
 C   -3.886900      -1.045400     -0.1811000    
 C    3.735900      0.4235000     -0.5243000    
 C    4.951100     -0.3324000     -3.4600001E-02
 H   -1.405300      0.9364000      -1.091900    
 H   -1.124900       2.232500      7.0600003E-02
 H  -0.1628000     -0.6559000      0.3577000    
 H   9.8999999E-02  0.6217000       1.541700    
 H   -2.454800      0.9917000       1.802800    
 H    1.408000       1.917100     -0.1464000    
 H    1.106300      0.6613000      -1.350500    
 H    2.270100      -1.016100      0.1282000    
 H    2.594800      0.2537000       1.300100    
 H   -2.244300      -1.339300       1.075800    
 H   -4.442600      0.1793000      -1.840600    
 H   -5.699800      2.6900001E-02 -0.5723000    
 H    3.938700       1.494300     -0.4106000    
 H    3.606300      0.1998000      -1.589200    
 H    6.839700     -0.5367000     -0.4740000    


%chk=000094170-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094170

0 1
S -3.980939 1.764096 -0.117106
O -4.584290 -2.190871 -0.322584
O 6.254062 0.168284 -0.630541
O 5.160005 -1.095987 0.980345
N -2.952840 -0.671584 0.403797
C -1.213404 1.053745 -0.173015
C 0.025808 0.323125 0.398755
C -2.518378 0.717515 0.569435
C 1.333586 0.748286 -0.307192
C 2.575345 0.015473 0.245018
C -4.992411 0.231126 -0.543940
C -4.176842 -1.009083 -0.152830
C 3.869188 0.451815 -0.467501
C 5.104548 -0.251400 0.060387
H -1.344800 0.814895 -1.245409
H -1.052930 2.148448 -0.103665
H -0.094375 -0.775118 0.290573
H 0.113057 0.528930 1.486090
H -2.429128 0.970143 1.643000
H 1.466821 1.844506 -0.195013
H 1.239087 0.554552 -1.395778
H 2.447890 -1.078608 0.135328
H 2.673828 0.203849 1.331249
H -2.339290 -1.431570 0.706509
H -5.206116 0.202079 -1.623737
H -5.940498 0.233870 0.016348
H 4.032766 1.542982 -0.366323
H 3.810617 0.261142 -1.557159
H 7.048031 -0.307941 -0.263543


