%chk=000002271.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002271

0 1
 S   -4.403400       1.978700       1.463900    
 O   -2.361200      0.3323000      -2.049500    
 O   -6.764600      -1.456700     -0.5648000    
 O   -5.408900      -1.471700       1.267600    
 O   0.5616000       1.090700      -1.080600    
 O    4.277500     -0.9324000       1.500500    
 O    4.220600       2.584100      -1.018300    
 N   -3.674700      1.4700000E-02 -0.1159000    
 N  -0.6707000      0.4217000      0.7676000    
 N    2.875400      0.4535000      0.2972000    
 N    5.183200      0.8825000      0.3589000    
 N    6.509400       2.505200     -0.5492000    
 C   -3.207600      0.6316000       1.126500    
 C   -5.497800       1.560400      1.7700000E-02
 C   -5.065200      0.1629000     -0.4797000    
 C   -1.933300       1.035500      0.3667000    
 C   -2.598300      0.3897000     -0.8645000    
 C   -6.963000       1.634900      0.4596000    
 C   -5.250500       2.622700      -1.066700    
 C   -5.737000     -0.9973000      0.1903000    
 C   0.4914000      0.5022000     -3.1999999E-03
 C    1.659700     -0.2616000      0.6064000    
 C    1.708500      -1.692300      0.1233000    
 C    4.116900      5.4400001E-02  0.7784000    
 C    1.028800      -2.688700      0.8240000    
 C    2.433000      -2.017000      -1.023800    
 C    6.554500      0.5447000      0.7083000    
 C    7.386000       1.740000      0.2915000    
 C    5.180300       2.056800     -0.4712000    
 C    1.073700      -4.009500      0.3778000    
 C    2.477700      -3.337800      -1.469900    
 C    1.798000      -4.334000     -0.7690000    
 H   -3.077900     -8.9599997E-02   1.938800    
 H   -5.154200      6.4599998E-02  -1.568000    
 H   -1.804000       2.118400      0.2410000    
 H   -7.238500       2.650500      0.7680000    
 H   -7.629800       1.354900     -0.3639000    
 H   -7.178400      0.9692000       1.302900    
 H   -5.517900       3.627200     -0.7172000    
 H   -4.206100       2.652800      -1.394900    
 H   -5.862200       2.415400      -1.952600    
 H  -0.6234000     -9.5700003E-02   1.642100    
 H    1.577400     -0.2508000       1.701100    
 H   -7.218200      -2.217000     -0.1425000    
 H    2.815500       1.296000     -0.2652000    
 H   0.4607000      -2.449400       1.718900    
 H    2.954900      -1.261700      -1.604900    
 H    6.830500     -0.3540000      0.1450000    
 H    6.640000      0.3169000       1.775600    
 H    7.658700       2.363100       1.148600    
 H    8.288800       1.462700     -0.2585000    
 H    6.792300       3.332000      -1.065500    
 H   0.5442000      -4.785200      0.9233000    
 H    3.037400      -3.590200      -2.365700    
 H    1.831700      -5.362300      -1.117100    


%chk=000002271-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000002271

0 1
S -3.998038 2.278413 1.004630
O -2.895593 -0.795303 -2.255990
O -7.363075 -0.969001 0.498336
O -5.628765 -0.905606 2.047713
O 0.695911 1.681750 -0.392965
O 4.160524 -0.640215 1.980566
O 4.500271 2.265417 -1.168145
N -3.900542 -0.173753 -0.123813
N -0.651614 -0.134022 0.167366
N 3.007955 0.407664 0.230800
N 5.246285 0.995092 0.723759
N 6.677297 2.438997 -0.233190
C -3.071843 0.622991 0.811783
C -5.486893 1.689118 -0.113897
C -5.328936 0.104102 -0.200938
C -1.881126 0.515758 -0.220056
C -2.895969 -0.278524 -1.125850
C -6.796354 2.154564 0.549330
C -5.322082 2.289612 -1.526617
C -6.070516 -0.631730 0.914303
C 0.578643 0.499698 0.037971
C 1.786267 -0.357772 0.487808
C 1.793912 -1.753680 -0.161048
C 4.110249 0.196888 1.023199
C 2.106737 -2.889381 0.625812
C 1.525300 -1.919791 -1.544416
C 6.513096 0.797336 1.465575
C 7.403085 1.979657 0.964168
C 5.384606 1.942768 -0.323454
C 2.143228 -4.175816 0.040830
C 1.562773 -3.203819 -2.128477
C 1.869522 -4.336093 -1.336678
H -2.920172 0.184069 1.807439
H -5.723634 -0.237210 -1.172948
H -1.623312 1.496436 -0.657353
H -6.844151 3.257445 0.556858
H -7.667191 1.777878 -0.018542
H -6.873901 1.805799 1.592898
H -5.231868 3.387369 -1.467903
H -4.419224 1.906209 -2.032980
H -6.202992 2.045228 -2.152223
H -0.663111 -1.126813 0.415461
H 1.712070 -0.503890 1.585228
H -7.845457 -1.428493 1.238967
H 3.016882 1.158278 -0.480785
H 2.353674 -2.753743 1.684824
H 1.283584 -1.048109 -2.165012
H 6.948605 -0.186318 1.215232
H 6.335420 0.824745 2.551325
H 7.471722 2.782586 1.723748
H 8.424058 1.640884 0.718658
H 6.983529 3.194308 -0.842215
H 2.390135 -5.047646 0.656875
H 1.347225 -3.323280 -3.195928
H 1.895295 -5.333053 -1.790838


