%chk=000013475.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013475

0 1
 S    5.068900     -0.8465000      -1.345300    
 N   -4.527900      -1.219700     -0.3734000    
 C   -2.166000      -1.102100      -1.016400    
 C   -3.160500      -1.349200      0.1171000    
 C   4.9699999E-02 -0.2513000     -2.7700000E-02
 C  -0.7459000      -1.223900     -0.5256000    
 C    1.427700     -0.6302000      0.3813000    
 C  -0.4505000       1.137000      8.7700002E-02
 C    2.441700     -0.5642000     -0.5512000    
 C    1.647100      -1.035300       1.681300    
 C   -5.486600      -1.426600      0.7134000    
 C   -4.777900      -2.169300      -1.458900    
 C  -0.2812000       2.002600     -0.9766000    
 C   -1.073700       1.531700       1.256700    
 C    3.734500     -0.9195000     -0.1660000    
 C    2.939700      -1.390600       2.066500    
 C    3.983400      -1.332600       1.143000    
 C  -0.7523000       3.311000     -0.8679000    
 C   -1.544800       2.840100       1.365300    
 C   -1.384000       3.729800      0.3029000    
 C    5.058400      0.9090000      -1.806200    
 H   -2.339900     -0.1209000      -1.473300    
 H   -2.262700      -1.838100      -1.822000    
 H   -2.989300      -2.342300      0.5552000    
 H   -2.994200     -0.6170000      0.9155000    
 H  -0.3476000      -2.237700     -0.5843000    
 H    2.234500     -0.2482000      -1.570700    
 H   0.8419000      -1.084900       2.408900    
 H   -5.321200     -0.6995000       1.516300    
 H   -5.417400      -2.433900       1.139800    
 H   -6.511600      -1.270900      0.3585000    
 H   -4.276300      -1.873200      -2.385200    
 H   -5.845100      -2.184500      -1.712800    
 H   -4.486400      -3.193100      -1.197400    
 H   0.2083000       1.688200      -1.894300    
 H   -1.203100      0.8494000       2.092300    
 H    3.133400      -1.712300       3.085600    
 H    4.984300      -1.613300       1.461900    
 H  -0.6275000       4.003600      -1.695100    
 H   -2.036400       3.166400       2.277100    
 H   -1.750900       4.748500      0.3875000    
 H    5.155200       1.536400     -0.9159000    
 H    4.136300       1.165800      -2.333700    
 H    5.904300       1.109900      -2.469000    


%chk=000013475-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000013475

0 1
S 5.385287 0.287817 -0.003708
N -4.806236 -1.561574 -0.160845
C -2.415306 -0.927287 -0.686061
C -3.380197 -1.806601 0.151770
C 0.012164 -0.269411 -0.032462
C -0.976735 -1.184811 -0.296661
C 1.349113 -0.740165 0.460218
C -0.177037 1.205600 -0.220977
C 2.536012 -0.068235 0.052799
C 1.466579 -1.861905 1.324892
C -5.703191 -2.080336 0.892089
C -5.205470 -2.035141 -1.500733
C -0.753133 1.734154 -1.408460
C 0.232903 2.119647 0.790434
C 3.805481 -0.513932 0.479368
C 2.738313 -2.308381 1.746135
C 3.911244 -1.645335 1.329546
C -0.927965 3.125808 -1.575286
C 0.051100 3.509852 0.629703
C -0.531332 4.020450 -0.554830
C 4.809197 1.728009 -1.058622
H -2.693625 0.132001 -0.550223
H -2.555318 -1.162029 -1.762388
H -3.104703 -2.887706 0.015604
H -3.225155 -1.568187 1.221143
H -0.713592 -2.249330 -0.194294
H 2.441588 0.797324 -0.609478
H 0.563232 -2.361758 1.689905
H -5.431563 -1.634552 1.865519
H -5.669089 -3.195298 0.999950
H -6.746183 -1.794153 0.665433
H -4.613412 -1.529824 -2.282563
H -6.268017 -1.788952 -1.675416
H -5.079939 -3.141617 -1.631183
H -1.040009 1.048580 -2.213550
H 0.688156 1.731010 1.708420
H 2.819543 -3.170230 2.418065
H 4.893753 -1.992686 1.668320
H -1.368787 3.510829 -2.501837
H 0.361771 4.194414 1.427202
H -0.669061 5.100133 -0.681926
H 4.162752 2.404429 -0.477841
H 4.287221 1.369446 -1.959525
H 5.728048 2.258532 -1.352747


