%chk=000047305.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047305

0 1
 S  -0.2479000       1.350200      9.7400002E-02
 S    2.779100       1.024900      8.7300003E-02
 O    6.068100     -0.9391000     -0.6426000    
 O    5.690800      0.9240000      0.6030000    
 N  -0.4227000      -1.199800     -8.1299998E-02
 N   0.9322000     -0.9191000     -5.7500001E-02
 C   -2.589700     -4.8999999E-02 -7.0000002E-03
 C   -1.148200     -0.1053000     -6.8000001E-03
 C   -3.331400      -1.182500      0.3261000    
 C   -3.241700       1.138000     -0.3411000    
 C   -4.725500      -1.128800      0.3253000    
 C   -4.635600       1.191500     -0.3420000    
 C    1.160800      0.3736000      3.3500001E-02
 C   -5.377700      5.8300000E-02 -8.5000005E-03
 C    3.821000     -0.4677000     -1.0600000E-02
 C    5.268400     -6.9200002E-02  2.4900001E-02
 H   -2.845700      -2.118100      0.5924000    
 H   -2.723000       2.045900     -0.6334000    
 H   -5.303300      -2.010900      0.5851000    
 H   -5.144300       2.113700     -0.6075000    
 H   -6.462900      9.9900000E-02 -1.0300000E-02
 H    3.609400     -0.9787000     -0.9548000    
 H    3.618700      -1.137000      0.8301000    
 H    7.011100     -0.6713000     -0.6060000    


%chk=000047305-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047305

0 1
S -0.184801 1.627918 -0.225034
S 2.924731 1.222558 -0.218946
O 6.050217 -1.331341 0.016040
O 5.894591 0.977459 -0.235780
N -0.385239 -1.026707 0.069214
N 0.991653 -0.766809 0.023438
C -2.621995 0.038382 -0.020275
C -1.156819 0.057177 -0.040010
C -3.293670 -1.211230 0.115645
C -3.390571 1.228885 -0.132996
C -4.700329 -1.259599 0.137202
C -4.799333 1.173184 -0.110560
C 1.269004 0.532138 -0.122629
C -5.460142 -0.069938 0.024350
C 3.855154 -0.417006 -0.049225
C 5.340936 -0.132911 -0.104510
H -2.694436 -2.122671 0.201782
H -2.890203 2.199233 -0.238191
H -5.207325 -2.224868 0.241989
H -5.380278 2.097389 -0.198135
H -6.554603 -0.111756 0.041426
H 3.548919 -1.094257 -0.861815
H 3.576576 -0.895675 0.902658
H 7.027963 -1.146056 -0.019937


