%chk=000104143.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104143

0 1
 S   0.6588000       1.745400      -1.399600    
 O  -0.9979000       2.456600       1.013700    
 O   -2.267900      -2.417000      -1.234200    
 O   0.1801000       3.113800      -1.460600    
 O    1.076000       1.073300      -2.615200    
 N    1.900300       1.637900     -0.2100000    
 N   -3.676000      -1.526200       1.033200    
 C  -0.6327000      0.7828000     -0.6660000    
 C   -1.303300       1.254400      0.4496000    
 C  -0.9468000     -0.4401000      -1.235400    
 C   -1.961500      -1.213700     -0.6718000    
 C   -2.647000     -0.7532000      0.4524000    
 C   -2.317800      0.4807000       1.013000    
 C    2.308600      0.3471000      0.2434000    
 C    2.828200     -0.5782000     -0.6619000    
 C    2.188800      1.1600000E-02   1.592000    
 C    3.227600      -1.839000     -0.2188000    
 C    2.588300      -1.249300       2.035200    
 C    3.107800      -2.174600       1.129700    
 C   -1.752000       2.844300       2.160300    
 C   -1.561600      -3.556600     -0.7490000    
 H  -0.4242000     -0.8184000      -2.108800    
 H    1.891800       2.368100      0.5142000    
 H   -2.886000      0.7838000       1.886400    
 H    2.959000     -0.3336000      -1.711400    
 H    1.783600      0.7237000       2.306400    
 H   -3.931600      -2.414300      0.6227000    
 H   -4.171200      -1.184600       1.846100    
 H    3.637700      -2.557500     -0.9226000    
 H    2.494400      -1.510900       3.085000    
 H    3.419700      -3.155800       1.474900    
 H   -1.591500       2.159900       3.000400    
 H   -2.813000       2.975400       1.921900    
 H   -1.376000       3.823500       2.475100    
 H  -0.4905000      -3.457000     -0.9524000    
 H   -1.935900      -4.440300      -1.273000    
 H   -1.727500      -3.690300      0.3246000    


%chk=000104143-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104143

0 1
S 0.563666 1.265041 -1.484817
O -0.764877 2.171540 1.069850
O -2.873585 -2.722968 -0.770970
O 0.094522 2.735568 -1.974776
O 1.100245 0.169061 -2.562416
N 2.023432 1.608185 -0.221546
N -3.996785 -1.567393 1.342939
C -0.790134 0.387433 -0.527910
C -1.360556 0.983844 0.616074
C -1.242905 -0.849388 -1.029014
C -2.308714 -1.490987 -0.387823
C -2.936208 -0.896958 0.758731
C -2.443114 0.338242 1.255316
C 2.556596 0.448157 0.406160
C 3.316213 -0.469145 -0.374876
C 2.393768 0.217021 1.802696
C 3.908428 -1.588640 0.242448
C 3.022309 -0.887271 2.415093
C 3.774682 -1.799310 1.637443
C -1.506052 2.984173 2.041011
C -2.274002 -3.395559 -1.926860
H -0.740367 -1.262822 -1.909205
H 1.556676 2.259348 0.440012
H -2.905467 0.775208 2.145995
H 3.432986 -0.281176 -1.445810
H 1.786681 0.911959 2.396892
H -4.291399 -2.453678 0.939553
H -4.482561 -1.193477 2.151825
H 4.491635 -2.291624 -0.362775
H 2.913738 -1.045128 3.494147
H 4.253490 -2.662550 2.112637
H -1.560347 2.480646 3.025437
H -2.523944 3.206033 1.670733
H -0.931429 3.917156 2.132483
H -2.369285 -2.775930 -2.838777
H -2.841465 -4.329606 -2.048695
H -1.207072 -3.623306 -1.741704


