%chk=000027608.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027608

0 1
 O    1.332300       2.585600     -0.4068000    
 N   0.2502000     -0.1670000     -0.2884000    
 N    3.855000     -0.5494000      0.6156000    
 C   -1.761500      0.7339000      2.9000000E-03
 C  -0.4230000       1.019700     -0.1867000    
 C   -2.787500       1.803300      0.1592000    
 C   -1.906600     -0.6820000      6.0999999E-03
 C  -0.6300000      -1.221400     -0.1777000    
 C   -2.127800       3.104800      0.6435000    
 C  -0.8925000       3.477000     -0.1906000    
 C    1.679200     -0.3125000     -0.4780000    
 C   0.1368000       2.349400     -0.2531000    
 C    2.426800     -0.3774000      0.8507000    
 C   -2.998700      -1.562000      0.1477000    
 C  -0.3934000      -2.600000     -0.2261000    
 C   -2.775700      -2.942800      0.1010000    
 C   -1.492100      -3.451600     -8.3099999E-02
 C    4.395900      0.5890000     -0.1298000    
 C    4.112800      -1.796700     -0.1062000    
 H   -3.277200       1.974100     -0.8069000    
 H   -3.559500       1.496700      0.8736000    
 H   -2.857300       3.921800      0.6140000    
 H   -1.822900       2.982700       1.691400    
 H  -0.4126000       4.359200      0.2469000    
 H   -1.187600       3.720100      -1.217700    
 H    1.807600      -1.222000      -1.072900    
 H    2.000800      0.4982000      -1.134100    
 H    2.249100      0.5309000       1.440300    
 H    2.047700      -1.202100       1.468000    
 H   -4.005500      -1.180400      0.2920000    
 H   0.6009000      -3.011200     -0.3627000    
 H   -3.614900      -3.624700      0.2103000    
 H   -1.341300      -4.527700     -0.1145000    
 H    4.121900       1.538800      0.3434000    
 H    4.099900      0.6194000      -1.183400    
 H    5.491300      0.5430000     -0.1097000    
 H    5.186800      -2.015000     -7.1199998E-02
 H    3.830800      -1.771500      -1.164000    
 H    3.613100      -2.645300      0.3749000    


%chk=000027608-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000027608

0 1
O 1.310027 2.599226 -0.544359
N 0.198945 -0.217883 -0.429557
N 3.910063 -0.501756 0.532431
C -1.854220 0.740419 0.027209
C -0.490514 1.004174 -0.239415
C -2.861022 1.835443 0.272584
C -2.017955 -0.685722 0.009400
C -0.717709 -1.257978 -0.268241
C -2.139932 3.125168 0.742014
C -0.950743 3.480919 -0.183530
C 1.642976 -0.381084 -0.670078
C 0.076936 2.348479 -0.331417
C 2.452670 -0.380312 0.671396
C -3.133194 -1.547808 0.207389
C -0.525781 -2.659165 -0.349235
C -2.940920 -2.936216 0.125483
C -1.647787 -3.483732 -0.150957
C 4.584508 0.647497 -0.096516
C 4.402709 -1.808140 0.072944
H -3.426787 2.047908 -0.659848
H -3.609590 1.517292 1.023132
H -2.853036 3.970268 0.771774
H -1.764875 2.976162 1.773250
H -0.411167 4.375791 0.173731
H -1.329040 3.718945 -1.200501
H 1.795479 -1.327683 -1.218949
H 1.984591 0.455636 -1.298395
H 2.230900 0.569540 1.192140
H 2.086534 -1.207898 1.310752
H -4.125783 -1.133579 0.416924
H 0.457028 -3.095619 -0.554499
H -3.786878 -3.615948 0.274346
H -1.530343 -4.571882 -0.206745
H 4.163139 1.586235 0.301933
H 4.486935 0.681327 -1.209618
H 5.664298 0.618183 0.142595
H 5.489947 -1.880292 0.263874
H 4.245630 -2.006314 -1.017928
H 3.905264 -2.614703 0.642386


