%chk=000026850.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026850

0 1
 O   4.9899999E-02  -1.426000       1.057000    
 N    4.155900      2.1299999E-02 -5.5000000E-02
 N   -1.314400      -1.503800      0.8049000    
 N   -3.244000       1.271300     -0.4136000    
 C    2.730500     -0.2176000     -0.2791000    
 C    1.917800      8.5699998E-02  0.9812000    
 C    4.388400       1.417600      0.3123000    
 C    4.926600     -0.3288000      -1.247500    
 C   0.4484000     -0.1804000      0.7652000    
 C    5.832100       1.669300      0.6046000    
 C    4.703000      -1.753100      -1.640300    
 C  -0.5596000      0.5919000      0.3308000    
 C   -1.655900     -0.2867000      0.3722000    
 C   -3.016000      9.4999997E-03  9.6000005E-03
 C   -3.990200     -0.9686000      0.1070000    
 C   -5.288600     -0.6281000     -0.2555000    
 C   -4.518000       1.565400     -0.7571000    
 C   -5.565900      0.6611000     -0.6968000    
 H    2.355200      0.3765000      -1.123600    
 H    2.536700      -1.269600     -0.5157000    
 H    1.979800       1.137500       1.277200    
 H    2.276300     -0.5153000       1.826200    
 H    4.032700       2.109400     -0.4616000    
 H    3.871800       1.671500       1.241400    
 H    4.692800      0.3320000      -2.092100    
 H    5.999700     -0.2376000      -1.049200    
 H    6.253700      0.9180000       1.281900    
 H    6.447200       1.711000     -0.2999000    
 H    5.947900       2.642700       1.095700    
 H    4.783200      -2.436300     -0.7873000    
 H    3.738000      -1.912700      -2.132100    
 H    5.465500      -2.060200      -2.365900    
 H  -0.5204000       1.628200      2.8400000E-02
 H   -3.789900      -1.978400      0.4495000    
 H   -6.083300      -1.365500     -0.1943000    
 H   -4.681700       2.583500      -1.094600    
 H   -6.570700      0.9488000     -0.9845000    


%chk=000026850-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000026850

0 1
O 0.096538 -1.526290 -0.094091
N 4.205535 0.163246 -0.301180
N -1.346045 -1.564560 -0.317006
N -3.529823 1.309226 0.347929
C 2.778573 -0.090069 -0.608327
C 1.901823 -0.024325 0.676534
C 4.525906 1.614726 -0.219367
C 5.136902 -0.590047 -1.185335
C 0.447652 -0.252305 0.403641
C 5.737768 1.914712 0.683566
C 5.223498 -2.086477 -0.830394
C -0.697547 0.515426 0.502242
C -1.775565 -0.326564 0.052484
C -3.205794 0.029736 -0.031261
C -4.175864 -0.906147 -0.479121
C -5.526109 -0.508003 -0.537718
C -4.841337 1.674137 0.283699
C -5.872108 0.808323 -0.149451
H 2.377123 0.626806 -1.365817
H 2.675298 -1.099933 -1.041277
H 2.012629 0.961326 1.162337
H 2.288917 -0.780951 1.383360
H 4.693389 2.051356 -1.236822
H 3.641852 2.133583 0.196770
H 4.861299 -0.470986 -2.264011
H 6.141371 -0.143847 -1.069866
H 5.554593 1.534455 1.703481
H 6.661052 1.439532 0.305800
H 5.920686 3.004347 0.736510
H 5.562691 -2.210557 0.212682
H 4.247039 -2.593856 -0.932724
H 5.937892 -2.600956 -1.500125
H -0.800037 1.540089 0.845463
H -3.856574 -1.911716 -0.767812
H -6.295070 -1.208910 -0.878890
H -5.064789 2.701544 0.593228
H -6.908867 1.157429 -0.179732


