%chk=000064539.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064539

0 1
 S    6.340400       1.136800     -5.4099999E-02
 P    8.114700      2.5300000E-02 -5.7500001E-02
 O    9.370200       1.047900      4.3900002E-02
 O    8.243300     -0.7840000       1.342800    
 O    8.195700     -0.8760000      -1.259700    
 N   -1.130300     -0.2147000     -3.0000001E-04
 N    2.592900     -0.4161000      5.9000002E-03
 C   -3.565000     -0.5394000      5.5999998E-03
 C   -6.068200     -0.9371000      3.8100000E-02
 C   -5.123400      0.9943000      -1.276400    
 C   -5.100000       1.053500       1.242900    
 C   -4.683300      -1.607900      4.0899999E-02
 C   -3.741100      0.3183000      -1.269800    
 C   -3.717900      0.3772000       1.242500    
 C   -6.216000     -8.6900003E-02  -1.234600    
 C   -6.192800     -2.8000001E-02   1.272200    
 C   -5.252700       1.893800     -3.5999998E-02
 C   -2.188900      -1.210500      8.6000003E-03
 C   0.1834000     -0.8464000      1.2700000E-02
 C    1.278200      0.2156000     -2.5100000E-02
 C    3.650000      0.5846000     -1.8900000E-02
 C    5.010900     -0.1004000     -2.3700001E-02
 H   -6.850200      -1.704000      6.3400000E-02
 H   -5.236000       1.597700      -2.184200    
 H   -5.195600       1.699000       2.123200    
 H   -4.596800      -2.276900     -0.8251000    
 H   -4.580700      -2.235800      0.9353000    
 H   -2.987300       1.110400      -1.339000    
 H   -3.630800     -0.3052000      -2.166500    
 H   -3.593800     -0.2057000       2.164500    
 H   -2.947900       1.158500       1.258100    
 H   -6.144600     -0.7264000      -2.122900    
 H   -7.207500      0.3817000      -1.258700    
 H   -7.183900      0.4416000       1.292600    
 H   -6.104500     -0.6253000       2.188000    
 H   -4.488500       2.680200     -6.1299998E-02
 H   -6.227300       2.397200     -3.8699999E-02
 H   -2.095700      -1.842900      0.9008000    
 H   -2.097600      -1.867300     -0.8662000    
 H   -1.196600      0.3687000     -0.8318000    
 H   0.2901000      -1.513700     -0.8522000    
 H   0.2955000      -1.452500      0.9204000    
 H    1.165500      0.8831000      0.8386000    
 H    1.172800      0.8216000     -0.9340000    
 H    2.691200      -1.043600     -0.7919000    
 H    3.548800       1.213000     -0.9130000    
 H    3.564800       1.231400      0.8633000    
 H    5.137400     -0.7216000      0.8694000    
 H    5.120600     -0.7444000     -0.9028000    
 H    10.27800      0.6926000     -6.4700000E-02
 H    8.967200      -1.437900       1.445200    


%chk=000064539-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000064539

0 1
S 6.723775 0.475325 1.514919
P 7.427078 -0.144248 -0.547657
O 7.737505 1.258301 -1.533822
O 9.079936 -0.487927 -0.237370
O 6.512709 -1.243988 -1.249124
N -0.947000 -0.279653 0.088872
N 2.769060 -0.590826 0.693324
C -3.476951 -0.458668 -0.024464
C -5.998927 -0.856979 -0.194883
C -4.923675 0.994950 -1.552767
C -5.124353 1.221296 0.967310
C -4.610781 -1.528226 -0.024425
C -3.536312 0.319161 -1.374331
C -3.739189 0.541273 1.138920
C -6.034914 -0.089968 -1.544427
C -6.238471 0.138086 0.972848
C -5.161363 1.988449 -0.382917
C -2.118884 -1.182557 0.154522
C 0.327335 -0.918698 0.471561
C 1.491048 0.086442 0.393021
C 3.969940 0.259546 0.719559
C 5.083593 -0.494378 1.464209
H -6.787575 -1.635660 -0.188341
H -4.944626 1.541536 -2.516815
H -5.291369 1.931823 1.801372
H -4.440630 -2.255543 -0.845767
H -4.581535 -2.099044 0.927215
H -2.750058 1.101408 -1.395207
H -3.341035 -0.376784 -2.217675
H -3.703586 -0.002775 2.105722
H -2.928301 1.293925 1.162394
H -5.885277 -0.795703 -2.386809
H -7.027405 0.383301 -1.686322
H -7.234330 0.614196 0.866928
H -6.235668 -0.403927 1.940251
H -4.382698 2.777737 -0.391796
H -6.141347 2.491943 -0.507672
H -2.107512 -1.665266 1.153319
H -2.055437 -2.011794 -0.598699
H -0.871425 0.164858 -0.837200
H 0.576324 -1.810297 -0.165556
H 0.243420 -1.288063 1.510373
H 1.326623 0.887389 1.137075
H 1.484596 0.574604 -0.616782
H 2.907149 -1.427264 0.109753
H 4.333982 0.551283 -0.296595
H 3.727337 1.194240 1.258431
H 4.821354 -0.656627 2.522385
H 5.298871 -1.464899 0.986327
H 6.960179 1.594666 -2.047675
H 9.685520 -0.242573 -0.985708


