%chk=000063488.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063488

0 1
 O    2.137400      -2.688600      0.7224000    
 N    1.897400     -0.3854000      0.3815000    
 N   -2.527100      0.4014000     -0.5646000    
 N   -2.486100      -1.797700     -0.2446000    
 N    3.811200      0.9331000     -0.1555000    
 C   0.4523000     -0.4531000      0.6101000    
 C  -0.3030000     -0.6817000     -0.7015000    
 C   -1.788600     -0.7314000     -0.4976000    
 C   -3.829900      4.0800001E-02 -0.3335000    
 C   -3.777900      -1.336400     -0.1368000    
 C    2.545100      0.8285000      0.1069000    
 C    2.612800      -1.591600      0.4423000    
 C    4.056100      -1.486400      0.1403000    
 C   -5.013100      0.7786000     -0.2812000    
 C   -6.187500      6.6699997E-02 -1.5699999E-02
 C   -6.167200      -1.315400      0.1860000    
 C   -4.967500      -2.035500      0.1288000    
 C    4.591900     -0.2299000     -0.1527000    
 C    1.752600       2.072300      0.1152000    
 C    4.867000      -2.627100      0.1429000    
 C   -7.476300      0.8233000      4.6500001E-02
 C   -7.431800      -2.062300      0.4679000    
 C    5.956900     -0.1286000     -0.4450000    
 C    1.149300       2.514300      -1.057400    
 C    1.614000       2.792100       1.297100    
 C    6.225000      -2.510700     -0.1501000    
 C    6.769800      -1.263000     -0.4441000    
 C   0.3986000       3.689700      -1.048000    
 C   0.8631000       3.967700       1.306400    
 C   0.2554000       4.416600      0.1339000    
 H   0.2365000      -1.277000       1.302200    
 H   9.4700001E-02  0.4543000       1.105400    
 H   1.6700000E-02  -1.633900      -1.144200    
 H  -6.0400002E-02  8.3300002E-02  -1.444200    
 H   -2.190300       1.338200     -0.7461000    
 H   -5.010200       1.851400     -0.4405000    
 H   -4.943400      -3.109700      0.2843000    
 H    4.461100      -3.609300      0.3680000    
 H   -7.936200      0.7221000       1.034800    
 H   -7.326700       1.894200     -0.1305000    
 H   -8.171900      0.4647000     -0.7192000    
 H   -7.248800      -3.134200      0.6020000    
 H   -7.898200      -1.698100       1.389000    
 H   -8.135600      -1.957800     -0.3643000    
 H    6.396900      0.8390000     -0.6746000    
 H    1.265000       1.963800      -1.987000    
 H    2.082900       2.449800       2.215600    
 H    6.858100      -3.393300     -0.1496000    
 H    7.827800      -1.172300     -0.6723000    
 H  -7.2700001E-02   4.040400      -1.961500    
 H   0.7514000       4.533300       2.226700    
 H  -0.3289000       5.332000      0.1411000    


%chk=000063488-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063488

0 1
O 2.531494 -2.841477 1.063073
N 2.011581 -0.615323 0.497504
N -2.275753 0.310173 -0.186211
N -2.585357 -1.935022 -0.475433
N 3.684905 0.903119 -0.361738
C 0.570981 -0.932069 0.713607
C -0.200445 -1.084969 -0.633127
C -1.681668 -0.940471 -0.444149
C -3.656071 0.100987 -0.044601
C -3.832337 -1.309959 -0.229340
C 2.442369 0.646017 0.028842
C 2.932706 -1.715461 0.644948
C 4.319318 -1.413356 0.251499
C -4.742182 0.960024 0.213077
C -6.036296 0.395801 0.289787
C -6.230533 -1.022164 0.107120
C -5.128115 -1.865498 -0.151360
C 4.643509 -0.119813 -0.266947
C 1.459600 1.775846 -0.056460
C 5.320370 -2.414069 0.353476
C -7.229305 1.294174 0.567935
C -7.628145 -1.613450 0.193410
C 5.977296 0.149985 -0.682133
C 1.308784 2.449546 -1.295878
C 0.726612 2.230091 1.071160
C 6.634087 -2.133636 -0.056634
C 6.959614 -0.848168 -0.577300
C 0.407775 3.529717 -1.418749
C -0.167122 3.318247 0.950513
C -0.340464 3.962304 -0.298262
H 0.543301 -1.883186 1.267999
H 0.109448 -0.153239 1.335967
H -0.000233 -2.078810 -1.064225
H 0.158129 -0.323324 -1.351249
H -1.783613 1.202418 -0.121445
H -4.605685 2.038357 0.352271
H -5.267509 -2.942425 -0.290707
H 5.035581 -3.393878 0.750153
H -7.757972 0.995674 1.493965
H -6.921095 2.347664 0.682232
H -7.974480 1.248470 -0.249819
H -7.606854 -2.704099 0.030193
H -8.091435 -1.430499 1.182512
H -8.308010 -1.173322 -0.561909
H 6.204200 1.146720 -1.071987
H 1.910131 2.124426 -2.150907
H 0.882891 1.765446 2.051289
H 7.409855 -2.902477 0.021636
H 7.986155 -0.636699 -0.896170
H 0.294237 4.036229 -2.383113
H -0.712016 3.672000 1.832386
H -1.034531 4.804627 -0.391704


