%chk=000004822.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004822

0 1
 S    2.444100      0.2132000       1.588900    
 N   -3.636000     -0.1858000      0.8076000    
 C   -1.232900     -0.1350000     -0.5723000    
 C   -2.146900       1.055300     -0.7157000    
 C   -1.924800      -1.467800     -0.5519000    
 C   -3.600000      0.7217000     -0.3408000    
 C   -3.057100      -1.502100      0.4896000    
 C   9.2699997E-02 -3.3000000E-03 -0.4232000    
 C   0.9301000      -1.225400     -0.2877000    
 C   0.6708000       1.358000     -0.2626000    
 C   -4.985500     -0.3229000       1.347000    
 C    2.027300      -1.215600      0.5943000    
 C    1.749700       1.549500      0.6213000    
 C   0.6876000      -2.380300      -1.052300    
 C   0.2022000       2.456000      -1.005300    
 C    2.828500      -2.359600      0.7273000    
 C    2.307800       2.827200      0.7780000    
 C    1.494900      -3.510800     -0.9174000    
 C   0.7690000       3.721600     -0.8472000    
 C    2.561100      -3.502100     -2.4800001E-02
 C    1.817200       3.908000      4.7200002E-02
 H   -1.880600       1.866600     -3.1199999E-02
 H   -2.188200       1.391900      -1.756300    
 H   -2.345700      -1.652300      -1.549100    
 H   -1.359500      -2.347100     -0.2646000    
 H   -4.118600       1.661300     -0.1110000    
 H   -4.121900      0.2769000      -1.199300    
 H   -3.826000      -2.193000      0.1177000    
 H   -2.676700      -1.930600       1.426000    
 H   -5.683800     -0.7377000      0.6113000    
 H   -5.369300      0.6494000       1.675200    
 H   -4.983600     -0.9738000       2.228400    
 H  -4.5600001E-02  -2.401200      -1.855600    
 H  -0.4936000       2.363600      -1.829400    
 H    3.673900      -2.372900       1.411900    
 H    3.135100       2.995100       1.464200    
 H    1.307800      -4.387300      -1.530900    
 H   0.4149000       4.554000      -1.448600    
 H    3.192700      -4.379700      7.6899998E-02
 H    2.262800       4.891200      0.1660000    


%chk=000004822-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000004822

0 1
S 1.933814 0.158151 1.916096
N -3.697209 -0.204333 0.837604
C -1.373354 -0.152485 -0.662706
C -2.325756 1.037251 -0.790599
C -2.112934 -1.479756 -0.651987
C -3.764838 0.669394 -0.348341
C -3.137399 -1.540936 0.522029
C -0.012358 -0.020793 -0.487561
C 0.911036 -1.191132 -0.346455
C 0.660534 1.309114 -0.337775
C -4.931842 -0.280611 1.630345
C 1.847925 -1.236797 0.722997
C 1.574063 1.520263 0.733455
C 0.935178 -2.259955 -1.284696
C 0.454277 2.386800 -1.241536
C 2.719503 -2.334329 0.898335
C 2.207851 2.766346 0.933324
C 1.799498 -3.362916 -1.120150
C 1.081209 3.636807 -1.052927
C 2.683588 -3.409678 -0.016336
C 1.950398 3.833780 0.045089
H -1.955388 1.877938 -0.177789
H -2.360092 1.395097 -1.841488
H -2.661861 -1.592078 -1.609988
H -1.432903 -2.340500 -0.565779
H -4.309862 1.592890 -0.080053
H -4.332748 0.199836 -1.194935
H -3.945024 -2.267055 0.242576
H -2.641046 -1.934527 1.430024
H -5.782098 -0.771739 1.089404
H -5.252763 0.733704 1.928095
H -4.743189 -0.860955 2.552315
H 0.274947 -2.207418 -2.157307
H -0.197881 2.233964 -2.107259
H 3.431271 -2.337997 1.730617
H 2.907319 2.894237 1.766222
H 1.792081 -4.175960 -1.854229
H 0.897747 4.450945 -1.762513
H 3.360014 -4.260893 0.117136
H 2.442190 4.800527 0.198345


