%chk=000027400.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027400

0 1
 S    1.915200      -3.688400      0.2670000    
 N   -3.928500      0.5966000      0.2479000    
 C   -1.211200      6.0300000E-02 -0.5656000    
 C   -2.269000      -1.003700     -0.6755000    
 C   -1.750500       1.464700     -0.5707000    
 C   9.3400002E-02 -0.2193000     -0.4413000    
 C   -3.377800     -0.7650000      0.3558000    
 C   -2.879300       1.608800      0.4563000    
 C    1.000000      0.9586000     -0.3452000    
 C   0.5649000      -1.586000     -0.3605000    
 C    1.863800       1.117200      0.7569000    
 C    1.906200      9.6500002E-02   1.869700    
 C    2.494800      -1.233500       1.399000    
 C    1.615100      -2.001400      0.4460000    
 C   -5.017500      0.7848000       1.206200    
 C   1.2100000E-02  -2.676900      -1.110300    
 C    1.022600       1.916300      -1.375500    
 C    2.711700       2.235300      0.8139000    
 C   0.6507000      -3.868600     -0.8601000    
 C    1.870800       3.021300      -1.304600    
 C    2.712500       3.182200     -0.2093000    
 H   -2.689100     -0.9977000      -1.688800    
 H   -1.986000      -2.020100     -0.4303000    
 H   -1.056500       2.261200     -0.3057000    
 H   -2.135900       1.692000      -1.573300    
 H   -4.175500      -1.497000      0.1770000    
 H   -2.991200     -0.9463000       1.368500    
 H   -3.312000       2.611500      0.3495000    
 H   -2.468200       1.538500       1.472900    
 H   0.9002000     -3.5300002E-02   2.288400    
 H    2.524000      0.4778000       2.692800    
 H    3.469900      -1.066300      0.9227000    
 H    2.675500      -1.848500       2.290500    
 H   -5.820900      6.2899999E-02   1.022200    
 H   -5.460100       1.780900       1.094700    
 H   -4.681600      0.6706000       2.243200    
 H  -0.7376000      -2.613500      -1.889400    
 H   0.4035000       1.800900      -2.263100    
 H    3.384700       2.373200       1.656800    
 H   0.4509000      -4.829900      -1.312000    
 H    1.879800       3.751000      -2.109000    
 H    3.375500       4.040700     -0.1542000    


%chk=000027400-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000027400

0 1
S 2.175004 -3.646309 0.082835
N -4.052781 0.570283 0.407337
C -1.321303 0.062032 -0.528661
C -2.369295 -1.042672 -0.494240
C -1.943854 1.449848 -0.597210
C 0.033637 -0.160117 -0.437638
C -3.439242 -0.763089 0.591507
C -3.030663 1.637052 0.490086
C 1.035391 0.962642 -0.398028
C 0.635601 -1.533638 -0.411943
C 1.870887 1.121576 0.748001
C 1.728010 0.165124 1.919909
C 2.311818 -1.244224 1.617341
C 1.638069 -1.953367 0.464151
C -5.184474 0.800921 1.325242
C 0.300570 -2.549953 -1.400860
C 1.200225 1.840962 -1.498916
C 2.833260 2.159738 0.766579
C 1.016483 -3.722540 -1.285199
C 2.166944 2.870814 -1.472695
C 2.987108 3.033968 -0.333526
H -2.890127 -1.090870 -1.472515
H -1.915164 -2.028283 -0.299553
H -1.184625 2.242023 -0.490662
H -2.434525 1.578991 -1.583720
H -4.235025 -1.528970 0.528203
H -2.961339 -0.857367 1.603078
H -3.529573 2.614209 0.347994
H -2.538140 1.654464 1.498955
H 0.660844 0.054139 2.192767
H 2.253555 0.569993 2.804452
H 3.396060 -1.142427 1.405313
H 2.230172 -1.864954 2.532638
H -5.950232 0.018340 1.176231
H -5.648112 1.779717 1.106294
H -4.889416 0.793254 2.405943
H -0.433032 -2.376569 -2.191978
H 0.571665 1.702023 -2.386057
H 3.466146 2.284623 1.654151
H 0.969895 -4.623033 -1.894330
H 2.280602 3.536938 -2.335295
H 3.738376 3.831109 -0.302482


