%chk=000023644.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023644

1 1
 S    2.248300       1.528100      -1.601500    
 S    3.235700      -1.815700       1.157600    
 O    1.252100     -1.5500000E-02   1.928600    
 N   -4.415000     -4.1999999E-02 -0.2555000    
 C   -2.933800      5.5900000E-02 -0.3350000    
 C  -0.1818000      2.3200000E-02  4.0700000E-02
 C   -2.440300       1.070800      0.6870000    
 C   -2.329800      -1.331100     -0.1045000    
 C  -0.9192000       1.244700      0.6188000    
 C  -0.8915000      -1.278500      0.4237000    
 C    1.278100      1.0400000E-02  0.4888000    
 C   -5.060200       1.316500     -0.5495000    
 C   -4.849900     -0.4906000       1.143600    
 C   -4.942300      -1.057700      -1.274400    
 C    1.976800       1.309000      4.5400001E-02
 C    2.087700      -1.231700      7.3500000E-02
 C    2.399300       2.299200      0.8446000    
 C    1.974300      -1.908000      -1.078700    
 C    2.997100       3.332500      6.6799998E-02
 C    2.892200      -2.997600      -1.097500    
 C    2.981600       3.041600      -1.279600    
 C    3.640500      -3.063600      5.7200000E-02
 H   -2.682800      0.4035000      -1.346600    
 H  -0.2323000      9.2699997E-02  -1.055200    
 H   -2.654900      0.7473000       1.710900    
 H   -2.879600       2.064500      0.5650000    
 H   -2.296000      -1.840900      -1.077900    
 H   -2.875600      -2.012000      0.5474000    
 H  -0.7048000       2.114500     -1.6000001E-02
 H  -0.5716000       1.514800       1.622800    
 H  -0.9416000      -1.362200       1.517100    
 H  -0.3770000      -2.177200      7.4400000E-02
 H   -6.135300       1.161600     -0.6872000    
 H   -4.621400       1.720500      -1.466400    
 H   -4.915900       1.990900      0.2977000    
 H   -5.944100     -0.5647000       1.123800    
 H   -4.462800      -1.472800       1.406700    
 H   -4.592400      0.2648000       1.888100    
 H   -4.560700     -0.7838000      -2.262400    
 H   -6.036200      -1.015600      -1.268800    
 H   -4.624700      -2.064900     -0.9934000    
 H    1.008100     -0.9082000       2.225400    
 H    2.308600       2.330700       1.922300    
 H    1.294200      -1.676300      -1.887800    
 H    3.417100       4.243100      0.4740000    
 H    2.998600      -3.697100      -1.916400    
 H    3.365600       3.645600      -2.089500    
 H    4.405700      -3.785000      0.3071000    


%chk=000023644-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023644

1 1
S 2.154939 1.688663 -1.593426
S 3.756942 -1.579366 0.745397
O 1.331532 -0.055089 2.054732
N -4.549098 -0.018842 -0.300965
C -2.965318 0.000211 -0.213303
C -0.179883 -0.091328 0.105227
C -2.422828 1.007034 0.818023
C -2.372624 -1.412876 0.053007
C -0.901139 1.218164 0.550770
C -0.946803 -1.309266 0.673075
C 1.325821 -0.055759 0.566319
C -5.040936 1.305368 -0.886442
C -5.190371 -0.219128 1.068193
C -5.000317 -1.138097 -1.238572
C 1.981961 1.258721 0.158840
C 2.118294 -1.239563 0.033843
C 2.496512 2.255034 0.969278
C 1.857620 -2.109508 -1.016931
C 3.032989 3.379934 0.236449
C 2.910765 -3.062460 -1.269584
C 2.923958 3.249186 -1.136114
C 3.987704 -2.927293 -0.410916
H -2.675337 0.339062 -1.227487
H -0.177722 -0.147858 -1.003853
H -2.568580 0.609992 1.839420
H -2.925365 1.989495 0.767929
H -2.328599 -1.985789 -0.890995
H -3.010362 -1.987124 0.753327
H -0.754815 2.005643 -0.209539
H -0.438370 1.579362 1.485077
H -1.013453 -1.197657 1.770624
H -0.406832 -2.251643 0.480542
H -6.139626 1.278783 -0.954786
H -4.608133 1.437414 -1.889810
H -4.733363 2.135596 -0.236826
H -6.282066 -0.284648 0.939417
H -4.815807 -1.148742 1.519135
H -4.943487 0.634337 1.714650
H -4.487973 -1.023732 -2.206097
H -6.089688 -1.062849 -1.381847
H -4.752344 -2.112784 -0.798190
H 1.573544 -0.963400 2.369890
H 2.497530 2.168005 2.056914
H 0.945712 -2.068915 -1.618087
H 3.488182 4.250338 0.714742
H 2.867865 -3.818225 -2.056923
H 3.250626 3.923999 -1.925469
H 4.906840 -3.508699 -0.363459


