%chk=000058692.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058692

0 1
 S  -0.9397000     -0.7247000     -0.2300000    
 O    1.926800      -1.930900       1.071800    
 N   -4.920500      6.4800002E-02 -3.2699998E-02
 N    2.218200      0.3083000      0.4235000    
 C   -3.633600     -0.3366000     -0.5998000    
 C   -4.854000       1.438600      0.4640000    
 C   -5.981900     -6.7400001E-02  -1.030000    
 C   -2.544900     -0.2295000      0.4607000    
 C   -6.164500       1.852100       1.112100    
 C   -6.065600      -1.489700      -1.557600    
 C   7.6600000E-02 -0.4352000       1.236100    
 C    1.513000     -0.7854000      0.9114000    
 C    3.574500      0.3491000      2.0400001E-02
 C    4.107600       1.540300     -0.4430000    
 C    4.339400     -0.8027000      9.8700002E-02
 C    5.444100       1.580900     -0.8399000    
 C    5.676000     -0.7620000     -0.2982000    
 C    6.228400      0.4299000     -0.7674000    
 H   -3.382300      0.2772000      -1.475500    
 H   -3.656800      -1.384200     -0.9188000    
 H   -4.585900       2.151800     -0.3254000    
 H   -4.121300       1.539600       1.268500    
 H   -5.847500      0.6284000      -1.867800    
 H   -6.959300      0.1395000     -0.5820000    
 H   -2.775900     -0.8627000       1.324000    
 H   -2.386300      0.7959000      0.7988000    
 H   -6.949800       2.052600      0.3768000    
 H   -6.523800       1.097800       1.820600    
 H   -6.019800       2.782700       1.672900    
 H   -5.263200      -1.723100      -2.264400    
 H   -6.056400      -2.227000     -0.7474000    
 H   -7.006300      -1.621200      -2.104600    
 H  -8.9999998E-04  0.6091000       1.554600    
 H  -0.2582000      -1.072500       2.060800    
 H    1.716700       1.189500      0.3364000    
 H    3.505600       2.442700     -0.5034000    
 H    3.987000      -1.760700      0.4510000    
 H    5.874300       2.508900      -1.205300    
 H    6.288200      -1.657700     -0.2421000    
 H    7.269100      0.4615000      -1.076300    


%chk=000058692-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058692

0 1
S -1.024382 -2.308953 -1.336958
O 1.730570 -2.300938 1.688407
N -3.962254 0.455647 -0.294508
N 1.470861 -0.934868 -0.217713
C -3.162384 -0.478932 -1.123087
C -3.316876 1.789279 -0.147939
C -5.395777 0.524048 -0.685136
C -2.143556 -1.221077 -0.239537
C -3.731721 2.526136 1.139556
C -6.190676 -0.725107 -0.259760
C 0.114531 -2.987810 0.012912
C 1.177241 -2.026150 0.580317
C 2.429946 0.095199 -0.004296
C 2.531192 1.109540 -0.995358
C 3.270246 0.140478 1.140807
C 3.461574 2.157441 -0.845338
C 4.196004 1.197781 1.274960
C 4.300938 2.208986 0.292540
H -2.633401 0.046156 -1.955272
H -3.834988 -1.218820 -1.592631
H -3.520747 2.436582 -1.038424
H -2.222171 1.630778 -0.122257
H -5.512356 0.692007 -1.785810
H -5.835971 1.406070 -0.186326
H -2.662115 -1.875362 0.479594
H -1.498386 -0.514851 0.310714
H -4.814723 2.744089 1.161997
H -3.489515 1.911884 2.023945
H -3.196059 3.490296 1.219447
H -5.803978 -1.644094 -0.737311
H -6.129135 -0.858675 0.834154
H -7.253899 -0.622876 -0.546744
H -0.495535 -3.355363 0.853412
H 0.626387 -3.855699 -0.439370
H 0.897755 -0.877373 -1.074166
H 1.885403 1.071655 -1.882154
H 3.187411 -0.642136 1.897305
H 3.531469 2.931984 -1.617171
H 4.842103 1.227876 2.159627
H 5.024073 3.023172 0.409073


