%chk=000062934.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062934

0 1
 S   -2.296500      0.6888000       3.594600    
 O    1.274800      -2.209000     -0.6013000    
 O  -6.7400001E-02 -0.1728000      0.7964000    
 O   -2.733300       1.934000      -2.816800    
 O   0.6701000      -3.661100       1.086400    
 N    3.369000      0.6467000      0.4807000    
 N   -2.358700       1.443200     -7.1599998E-02
 N   -2.993300       1.392900       2.240300    
 N  -0.9471000     -2.7700000E-02   2.901100    
 C    3.975300       1.743500     -0.2618000    
 C    2.597100     -0.2165000     -0.4029000    
 C    1.956700      -1.385100      0.3499000    
 C    2.873500       2.580800     -0.9222000    
 C    4.902200       1.155500      -1.330900    
 C    4.780100       2.608200      0.7142000    
 C   0.9585000     -0.9415000       1.417100    
 C   -1.290700       2.061700     -0.8653000    
 C   -3.706900       1.647600     -0.6182000    
 C   -1.427700       1.632800      -2.323100    
 C   -3.730600       1.223500      -2.081100    
 C   -2.170700       1.068600       1.240200    
 C   -1.053200      0.2894000       1.618400    
 C   0.6721000      -3.322900     -8.9199997E-02
 C   3.3000000E-03  -4.078200      -1.215000    
 C   -1.073900      -3.243200      -1.902900    
 C   -2.183000      -2.859200     -0.9372000    
 H    3.222400     -0.6777000      -1.174700    
 H    1.795500      0.3103000     -0.9299000    
 H    2.751500      -1.983300      0.8155000    
 H    2.767000       1.026400       1.209700    
 H    2.404200       2.092300      -1.782200    
 H    3.293200       3.519200      -1.306200    
 H    2.089100       2.855900     -0.2073000    
 H    4.369900      0.7242000      -2.185300    
 H    5.571900      0.3931000     -0.9150000    
 H    5.542500       1.942900      -1.748300    
 H    5.566000       2.025300       1.209100    
 H    5.265800       3.442900      0.1959000    
 H    4.138600       3.033900       1.494900    
 H    1.482900     -0.3193000       2.153800    
 H   0.5171000      -1.760400       1.984500    
 H   -1.404900       3.150900     -0.7948000    
 H  -0.2860000       1.825800     -0.5073000    
 H   -4.454400       1.065500     -6.6799998E-02
 H   -3.966100       2.709300     -0.5278000    
 H   -1.232100      0.5600000      -2.441900    
 H  -0.7030000       2.173100      -2.940200    
 H   -4.704200       1.456800      -2.523300    
 H   -3.563700      0.1453000      -2.190200    
 H   0.7741000      -4.384200      -1.931000    
 H  -0.4328000      -4.994600     -0.8009000    
 H  -0.6433000      -2.334400      -2.338600    
 H   -1.501400      -3.823700      -2.728400    
 H   -1.818700      -2.212700     -0.1347000    
 H   -2.635700      -3.747400     -0.4845000    
 H   -2.970300      -2.315000      -1.468500    


%chk=000062934-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000062934

0 1
S -2.209314 1.209126 3.858926
O 1.211758 -1.908890 -0.871924
O -0.155576 0.047320 0.781046
O -3.837507 1.585810 -2.671250
O 1.488722 -3.789222 0.476754
N 3.113188 1.085593 0.309885
N -2.750400 1.338839 -0.009289
N -3.047179 1.677461 2.327872
N -0.808518 0.444039 3.029278
C 4.375314 1.770692 -0.120652
C 2.438564 0.158146 -0.618731
C 1.915182 -1.072786 0.151793
C 4.193895 2.572371 -1.444828
C 5.500657 0.719167 -0.285968
C 4.749753 2.741952 1.025637
C 0.989976 -0.744785 1.318942
C -1.847386 1.458568 -1.182554
C -4.082691 1.957081 -0.220172
C -2.553599 0.907359 -2.433091
C -4.715804 1.396321 -1.504003
C -2.292402 1.224787 1.297387
C -1.035501 0.551378 1.718424
C 1.055917 -3.271456 -0.578737
C 0.333426 -3.996630 -1.702356
C -0.957067 -3.289389 -2.194007
C -2.016478 -3.120825 -1.083719
H 3.154748 -0.205530 -1.374828
H 1.592209 0.618144 -1.171143
H 2.759827 -1.652711 0.568823
H 2.454073 1.761393 0.717844
H 3.887467 1.908985 -2.274925
H 5.137240 3.067247 -1.742200
H 3.420043 3.354354 -1.325511
H 5.280698 0.002364 -1.098549
H 5.628054 0.150593 0.651684
H 6.455974 1.216405 -0.533817
H 4.882535 2.186890 1.970960
H 5.688463 3.275486 0.793807
H 3.958965 3.502627 1.178348
H 1.532872 -0.142091 2.067834
H 0.595397 -1.652582 1.805143
H -1.595033 2.528983 -1.350118
H -0.920725 0.895808 -0.997134
H -4.714660 1.740526 0.656989
H -3.980917 3.060882 -0.296491
H -2.721711 -0.185468 -2.317238
H -1.947833 1.095356 -3.334659
H -5.648363 1.932512 -1.744349
H -4.932850 0.313890 -1.372911
H 1.041194 -4.096799 -2.549303
H 0.108672 -5.012990 -1.334735
H -0.689133 -2.300842 -2.610261
H -1.376995 -3.889635 -3.024274
H -1.648880 -2.454426 -0.281878
H -2.278440 -4.094078 -0.628698
H -2.945021 -2.676922 -1.487669


