%chk=000147869.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147869

0 1
 S    2.292300      -2.748000      4.6200000E-02
 S    2.298700       2.747200      3.8100000E-02
 O    2.724200      -3.122400      -1.484100    
 O    3.186300       2.858700      -1.328600    
 O    3.519000      -2.535500      0.7972000    
 O    1.304400      -3.716800      0.4899000    
 O    1.294600       3.797300     -1.7100001E-02
 O    3.210000       2.645100       1.165200    
 N    3.558000     -1.6000000E-03  0.2308000    
 N   -1.983600      3.5000001E-03 -0.5951000    
 N   -2.581500      5.7000001E-03  0.5067000    
 C    2.158900     -1.9999999E-04  2.2700001E-02
 C    1.467600      -1.207600     -7.8500003E-02
 C    1.470600       1.208400     -8.2099997E-02
 C   8.8000000E-02  -1.206300     -0.2840000    
 C   9.0999998E-02   1.209700     -0.2876000    
 C  -0.5936000      2.3000001E-03 -0.3876000    
 C    4.463800     -4.1999999E-03 -0.8981000    
 C    4.095900      1.3600000E-02   1.574400    
 C   -3.964400      7.1000000E-03  0.3007000    
 C   -4.655700      -1.200100      0.1995000    
 C   -4.652700       1.215700      0.1965000    
 C   -6.035400      -1.198800     -6.0000001E-03
 C   -6.032400       1.217200     -8.8999998E-03
 C   -6.723800      9.8999999E-03 -0.1102000    
 H  -0.4669000      -2.136300     -0.3759000    
 H  -0.4685000       2.136800     -0.3761000    
 H    5.071400     -0.9150000     -0.8995000    
 H    5.141800      0.8538000     -0.8440000    
 H    3.932000      4.6200000E-02  -1.854800    
 H    4.794800     -0.8134000       1.736700    
 H    3.314300     -4.3200001E-02   2.340100    
 H    4.688700      0.9163000       1.750400    
 H    3.344600      -2.490800      -1.917600    
 H    2.671300       2.850900      -2.169600    
 H   -4.128400      -2.147200      0.2802000    
 H   -4.123000       2.161600      0.2747000    
 H   -6.573700      -2.138800     -8.4700003E-02
 H   -6.568400       2.158300     -8.9900002E-02
 H   -7.798000      1.1000000E-02 -0.2700000    


%chk=000147869-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147869

0 1
S 2.035211 -2.416197 1.329472
S 2.432295 3.023243 -0.960566
O 2.345420 -3.480443 -0.184600
O 3.533724 2.174150 -2.198739
O 3.414048 -2.202363 2.143073
O 0.773590 -3.082813 2.094847
O 1.304028 3.857550 -1.766340
O 3.350392 3.843031 0.086479
N 3.712880 0.087873 0.085169
N -1.993383 0.606966 -0.154619
N -2.698071 -0.469182 0.092380
C 2.341596 0.233387 0.080062
C 1.432687 -0.836020 0.432959
C 1.621357 1.430056 -0.284898
C 0.045494 -0.788293 0.360523
C 0.228426 1.532045 -0.355708
C -0.587031 0.417723 -0.047511
C 4.387585 -1.093225 -0.492649
C 4.643692 1.119846 0.581247
C -4.113313 -0.302139 -0.001386
C -4.768757 0.915588 -0.347208
C -4.875435 -1.468125 0.279740
C -6.173215 0.950689 -0.407025
C -6.283284 -1.422123 0.217829
C -6.934873 -0.213880 -0.125531
H -0.577194 -1.634667 0.673052
H -0.249730 2.455348 -0.701006
H 4.937443 -1.655112 0.282442
H 5.097194 -0.732982 -1.262738
H 3.667847 -1.770729 -0.974548
H 5.366911 0.621494 1.253677
H 4.115540 1.895718 1.152260
H 5.191762 1.602238 -0.248039
H 2.342919 -4.432226 0.126602
H 3.851850 2.882492 -2.831482
H -4.162990 1.801600 -0.559767
H -4.341174 -2.386786 0.543251
H -6.684261 1.882826 -0.672091
H -6.870209 -2.320551 0.435635
H -8.028772 -0.175906 -0.174246


