%chk=000049288.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049288

0 1
 S    2.454000      0.7824000     -0.2330000    
 O   1.7000000E-03 -0.4127000      -2.023900    
 O   0.6289000      0.8505000       2.387200    
 O   -3.191200       2.118200      0.2089000    
 N   -1.720900      0.6998000     -0.9218000    
 N   -1.307400       1.414400       1.293800    
 C   5.6600001E-02 -0.3953000      0.3893000    
 C  -0.6766000      -1.657400      0.8791000    
 C    1.555100     -0.7077000      0.2523000    
 C  -0.5240000     -3.2800000E-02 -0.9761000    
 C  -0.1406000      0.6828000       1.442200    
 C  -0.4963000      -2.803000     -0.1041000    
 C   -2.159800       1.441000      0.1922000    
 C   -1.239600      -4.042200      0.3681000    
 C   -2.488800      0.8323000      -2.154300    
 C    4.120900      8.3700001E-02 -0.3010000    
 C    5.128000       1.145900     -0.6989000    
 H   -1.748300      -1.456200       1.009300    
 H  -0.3013000      -1.953200       1.868000    
 H    1.762000      -1.451600     -0.5213000    
 H    1.968000      -1.075800       1.198500    
 H   0.5536000      -3.088100     -0.2118000    
 H  -0.8816000      -2.556300      -1.097500    
 H   -1.540600       2.047800       2.053500    
 H  -0.8704000      -4.374900       1.343700    
 H   -2.313500      -3.847800      0.4548000    
 H   -1.101200      -4.862600     -0.3435000    
 H   -3.558200      0.8955000      -1.933100    
 H   -2.308000     -1.4700000E-02  -2.822000    
 H   -2.176400       1.755400      -2.652500    
 H    4.383900     -0.3213000      0.6813000    
 H    4.142200     -0.7324000      -1.030000    
 H    4.908500       1.557500      -1.690000    
 H    5.150900       1.969400      2.3100000E-02
 H    6.132600      0.7116000     -0.7367000    


%chk=000049288-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049288

0 1
S 2.600768 0.727575 0.791507
O 0.497354 -0.678258 -1.665842
O -0.150138 0.352237 3.007711
O -2.572093 2.543418 -0.275129
N -1.100421 0.850642 -0.987409
N -1.356996 1.379714 1.325490
C 0.067597 -0.586495 0.745406
C -0.797251 -1.898939 0.981589
C 1.567910 -0.852227 1.005734
C -0.124650 -0.134092 -0.711657
C -0.448055 0.418392 1.787902
C -0.371607 -3.145406 0.174171
C -1.735433 1.644994 -0.003245
C -1.361864 -4.310111 0.397132
C -1.382447 1.155327 -2.411589
C 3.553096 0.294959 -0.802077
C 4.309518 1.541722 -1.280781
H -1.859113 -1.665198 0.760051
H -0.738355 -2.120637 2.065264
H 1.954101 -1.594938 0.293042
H 1.710090 -1.200127 2.040240
H 0.641120 -3.466499 0.483649
H -0.309301 -2.903150 -0.902213
H -1.770950 2.004450 2.025375
H -1.431230 -4.580423 1.467620
H -2.378085 -4.042654 0.051144
H -1.043546 -5.210735 -0.158038
H -2.207614 1.880136 -2.445586
H -1.655128 0.227717 -2.938701
H -0.485162 1.578481 -2.892223
H 4.247522 -0.528052 -0.560489
H 2.815549 -0.051595 -1.544235
H 3.611709 2.363673 -1.520344
H 5.019339 1.903928 -0.515498
H 4.885968 1.304367 -2.194169


