%chk=000118309.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118309

0 1
 O  -0.7209000     -0.9817000      -1.436800    
 N    1.544000      -1.502200     -8.9299999E-02
 N    2.893100       1.061300      0.1480000    
 N   -1.490600      0.3592000      0.3369000    
 C   0.8053000     -0.2709000      0.2371000    
 C    1.506600      0.9775000     -0.3236000    
 C    2.943000      -1.390800      0.3549000    
 C    3.625400     -0.1516000     -0.2294000    
 C   0.9355000      -2.690800      0.5186000    
 C    3.552000       2.252200     -0.3852000    
 C  -0.5503000     -0.3512000     -0.3984000    
 C    1.673500      -3.950500      7.2800003E-02
 C    4.961800       2.378500      0.1866000    
 C    1.048100      -5.200300      0.6730000    
 C    5.662300       3.622900     -0.3367000    
 C   -2.868300      0.5133000      5.2999999E-02
 C   -3.674600       1.262100      0.8953000    
 C   -3.382800     -9.8999999E-02  -1.079300    
 C   -5.030300       1.402300      0.5981000    
 C   -3.132300       1.926800       2.118900    
 C   -4.738300      4.1200001E-02  -1.376500    
 C   -5.562200      0.7919000     -0.5378000    
 H   0.7131000     -0.1767000       1.328400    
 H   0.9560000       1.869000      4.4000000E-03
 H    1.470300      0.9740000      -1.422800    
 H    3.008400      -1.366200       1.451400    
 H    3.546900      -2.230900      1.8000000E-03
 H    3.705800     -0.2454000      -1.320900    
 H    4.638400     -0.1640000      0.1817000    
 H  -0.1130000      -2.798100      0.2197000    
 H   0.9448000      -2.618800       1.614300    
 H    3.591600       2.227400      -1.482100    
 H    2.980500       3.144900     -0.1013000    
 H    1.664300      -4.031300      -1.020800    
 H    2.716800      -3.963700      0.3991000    
 H    4.927500       2.416600       1.282100    
 H    5.603000       1.539300     -9.6400000E-02
 H   -1.158000      0.8299000       1.173900    
 H    1.079200      -5.169300       1.766900    
 H   3.8000001E-03  -5.304600      0.3616000    
 H    1.589800      -6.092600      0.3429000    
 H    6.669900       3.697500      8.4600002E-02
 H    5.751400       3.594800      -1.427500    
 H    5.112100       4.528000     -5.9900001E-02
 H   -2.817400     -0.6959000      -1.778700    
 H   -5.686600       1.983500       1.240400    
 H   -2.717700       1.184500       2.809000    
 H   -3.911000       2.472900       2.662900    
 H   -2.357100       2.652600       1.851400    
 H   -5.154000     -0.4337000      -2.260500    
 H   -6.617700      0.9010000     -0.7693000    


%chk=000118309-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118309

0 1
O -0.607706 -0.397833 -1.855358
N 1.622092 -1.362601 -0.009955
N 3.136643 1.127418 -0.102698
N -1.486783 0.250120 0.230945
C 0.944612 -0.040696 0.028030
C 1.797266 1.011498 -0.722768
C 2.983401 -1.250949 0.572255
C 3.819099 -0.188126 -0.156364
C 0.812206 -2.440934 0.614478
C 3.929476 2.235299 -0.695253
C -0.448838 -0.100483 -0.636363
C 1.349706 -3.859180 0.331979
C 5.191526 2.591329 0.117366
C 0.377754 -4.945911 0.841293
C 5.896885 3.847073 -0.440309
C -2.884689 0.355616 -0.028351
C -3.730406 0.741669 1.061048
C -3.436761 0.088692 -1.309383
C -5.119793 0.847804 0.825000
C -3.159270 1.031188 2.440221
C -4.828445 0.204547 -1.508820
C -5.678078 0.583382 -0.446492
H 0.837658 0.315119 1.091421
H 1.293788 1.995121 -0.667598
H 1.842610 0.701039 -1.794149
H 2.937004 -0.986429 1.660710
H 3.490187 -2.226737 0.479581
H 3.985980 -0.516846 -1.213597
H 4.802671 -0.110964 0.339199
H -0.208723 -2.379958 0.193157
H 0.719190 -2.293377 1.724828
H 4.223573 2.010273 -1.754369
H 3.272828 3.127238 -0.730648
H 1.498956 -3.959216 -0.759538
H 2.337331 -4.007876 0.809733
H 4.894342 2.753187 1.171088
H 5.904678 1.744418 0.110953
H -1.195429 0.454445 1.189435
H 0.211356 -4.856929 1.931993
H -0.606065 -4.865163 0.342308
H 0.773867 -5.958182 0.643191
H 6.808219 4.083655 0.138135
H 6.196009 3.702569 -1.495874
H 5.231815 4.730259 -0.397744
H -2.769922 -0.204389 -2.122060
H -5.773495 1.143033 1.654610
H -2.651593 0.147682 2.878267
H -3.961828 1.318219 3.139213
H -2.430222 1.866711 2.426149
H -5.245035 -0.003548 -2.500542
H -6.758542 0.672624 -0.601853


