%chk=000114097.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114097

0 1
 S  -0.9800000      -2.431300     -0.3335000    
 N   -1.281900      0.2902000     -0.3816000    
 N   0.4511000       1.908500     -0.1440000    
 C   -2.727100      0.1482000     -0.5809000    
 C   -3.492000      9.3699999E-02  0.7361000    
 C    1.023500     -0.4851000     -6.2799998E-02
 C  -0.4293000     -0.8295000     -0.2622000    
 C    1.384000      0.8717000     -1.4000000E-02
 C  -0.7843000       1.581700     -0.3144000    
 C   -4.991800     -7.5599998E-02  0.5387000    
 C    2.026300      -1.460500      7.5999998E-02
 C    2.728400       1.227300      0.1725000    
 C    3.360600      -1.091300      0.2607000    
 C    3.712500      0.2519000      0.3093000    
 H   -2.949800     -0.7307000      -1.193300    
 H   -3.082900       1.011600      -1.158000    
 H   -3.122700     -0.7291000       1.358600    
 H   -3.310000       1.013500       1.305400    
 H   -1.546600       2.370200     -0.4153000    
 H   -5.213000      -1.008400      1.0500000E-02
 H   -5.501500     -0.1028000       1.506800    
 H   -5.405700      0.7553000     -4.1299999E-02
 H    1.808400      -2.523700      4.6200000E-02
 H    3.014700       2.275900      0.2118000    
 H    4.124200      -1.856600      0.3666000    
 H    4.749400      0.5399000      0.4530000    


%chk=000114097-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114097

0 1
S -1.043862 -2.383644 -0.299074
N -1.266392 0.347921 -0.405150
N 0.498073 1.988598 -0.175099
C -2.736645 0.177126 -0.583189
C -3.483821 0.073721 0.765247
C 0.996656 -0.447592 -0.062497
C -0.423757 -0.779318 -0.253033
C 1.414715 0.929035 -0.024426
C -0.763555 1.652461 -0.353949
C -4.995532 -0.142516 0.545077
C 1.978847 -1.466631 0.090893
C 2.785797 1.252645 0.166196
C 3.328821 -1.133450 0.275149
C 3.735542 0.231305 0.314579
H -2.889441 -0.746856 -1.167641
H -3.105365 1.039581 -1.168611
H -3.060297 -0.771084 1.337759
H -3.310491 0.994766 1.355174
H -1.510428 2.442978 -0.480103
H -5.183857 -1.081590 -0.006792
H -5.527225 -0.207776 1.510559
H -5.445396 0.688015 -0.031298
H 1.643783 -2.508739 0.060105
H 3.062394 2.310867 0.189987
H 4.074363 -1.927237 0.390149
H 4.791574 0.482414 0.460888


