%chk=000041949.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041949

0 1
 S    5.327500     -0.6789000     -9.3199998E-02
 O    5.353900      -2.003700     -0.6966000    
 O    6.165000      0.3806000     -0.6391000    
 O  -0.6310000       2.412900      2.1400001E-02
 N   -2.788600      0.8244000      1.4100000E-02
 C    3.669700     -0.1326000     -6.6799998E-02
 C    1.020000      0.7397000     -2.7200000E-02
 C   -1.502700      0.1688000     -1.4600000E-02
 C    2.629100      -1.061700     -7.5400002E-02
 C    3.385200       1.232800     -3.8199998E-02
 C  -0.3612000       1.194400     -5.7000001E-03
 C    1.304300     -0.6255000     -5.5900000E-02
 C    2.060300       1.668900     -1.8500000E-02
 C    5.763200     -0.8511000       1.622600    
 C   -3.997600      0.1469000      1.3300000E-02
 C   -4.037400      -1.259600     -1.6200000E-02
 C   -5.217800      0.8476000      4.1900001E-02
 C   -5.254400      -1.941300     -1.7600000E-02
 C   -6.434700      0.1658000      4.0600002E-02
 C   -6.452900      -1.228600      1.0900000E-02
 H   -1.394100     -0.4634000      0.8737000    
 H   -1.414100     -0.4253000     -0.9309000    
 H    2.827800      -2.129700     -9.0599999E-02
 H    4.180100       1.973200     -2.4700001E-02
 H   0.5282000      -1.384100     -6.2199999E-02
 H    1.864900       2.737700      5.2000000E-03
 H   -2.818100       1.837900      3.6600001E-02
 H    5.100500      -1.584900       2.085200    
 H    6.797500      -1.197800       1.676400    
 H    5.670100      0.1200000       2.112300    
 H   -3.128100      -1.854300     -3.9000001E-02
 H   -5.221900       1.935200      6.5200001E-02
 H   -5.269200      -3.027100     -4.0700000E-02
 H   -7.368200      0.7206000      6.2700003E-02
 H   -7.400400      -1.759400      9.8999999E-03


%chk=000041949-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041949

0 1
S 5.485784 -0.660563 -0.113624
O 5.497857 -2.180357 -0.720213
O 6.322856 0.572597 -0.787385
O -0.705421 2.379481 0.078644
N -2.840394 0.784872 0.029311
C 3.662492 -0.117568 -0.024867
C 0.990782 0.665355 0.006214
C -1.564130 0.114880 -0.008642
C 2.679219 -1.119938 -0.041402
C 3.377032 1.258174 -0.022814
C -0.430201 1.144821 0.029645
C 1.327657 -0.716057 -0.023171
C 2.022317 1.644463 -0.000969
C 6.042775 -0.780017 1.716655
C -4.072044 0.127329 0.007348
C -4.168234 -1.294326 -0.055736
C -5.277030 0.891554 0.049302
C -5.433328 -1.920931 -0.075081
C -6.530205 0.251744 0.029211
C -6.623638 -1.160860 -0.032929
H -1.430673 -0.584127 0.849936
H -1.439160 -0.503791 -0.928125
H 2.969206 -2.174508 -0.099651
H 4.187974 1.992797 -0.069148
H 0.546419 -1.482686 -0.037354
H 1.734566 2.700580 0.003809
H -2.798176 1.806917 0.065942
H 5.410578 -1.538460 2.198071
H 7.096322 -1.089018 1.666622
H 5.924709 0.220344 2.154911
H -3.263695 -1.911100 -0.091419
H -5.218858 1.986251 0.096950
H -5.485677 -3.015007 -0.124335
H -7.441916 0.859569 0.061892
H -7.600866 -1.654012 -0.048698


