%chk=000027761.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027761

0 1
 O   -1.728000       1.913300      0.4002000    
 N    4.523500      0.1323000      4.7699999E-02
 N   -1.054200     -0.2441000     -0.2297000    
 N   -3.487900     -0.3256000       2.255100    
 C    3.118500      3.2299999E-02 -2.4599999E-02
 C    5.151200       1.377500      0.4424000    
 C    5.357400      -1.013100     -0.2582000    
 C    1.133400      -1.269500     -0.4745000    
 C    2.523000      -1.170700     -0.4043000    
 C   0.3586000     -0.1641000     -0.1640000    
 C    2.324400       1.136300      0.2847000    
 C   0.9349000       1.037600      0.2148000    
 C    5.238700       2.343200     -0.7272000    
 C    5.458800      -1.952000      0.9319000    
 C   0.5225000      -2.570300     -0.8842000    
 C   -1.995400      0.7561000      4.3800000E-02
 C   -3.393100      0.3636000     -8.6300001E-02
 C   -4.103600     -0.1591000      0.9943000    
 C   -4.019400      0.5195000      -1.322900    
 C   -5.440400     -0.5258000      0.8383000    
 C   -5.356300      0.1527000      -1.478800    
 C   -6.066600     -0.3700000     -0.3984000    
 H    4.666200       1.837300       1.311000    
 H    6.174900       1.178300      0.7865000    
 H    5.037500      -1.539800      -1.164500    
 H    6.372900     -0.6707000     -0.4986000    
 H    3.098900      -2.055000     -0.6540000    
 H    2.724800       2.097500      0.5873000    
 H   0.3970000       1.937400      0.4706000    
 H    5.807400       1.902100      -1.553200    
 H    4.256700       2.622700      -1.118400    
 H    5.750300       3.260800     -0.4196000    
 H    5.869000      -1.431300       1.804100    
 H    4.490500      -2.368100       1.223900    
 H    6.125100      -2.787800      0.6957000    
 H    1.282100      -3.332000      -1.091900    
 H  -0.1165000      -2.963200     -8.6400002E-02
 H  -6.7199998E-02  -2.447100      -1.798800    
 H   -1.434000      -1.145200     -0.5078000    
 H   -3.476700      0.9256000      -2.172800    
 H   -6.005900     -0.9344000       1.671900    
 H   -5.843900      0.2740000      -2.441600    
 H   -7.107400     -0.6555000     -0.5200000    
 H   -2.519400     -7.1400002E-02   2.393600    
 H   -4.019000     -0.7071000       3.026900    


%chk=000027761-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027761

0 1
O -1.785246 1.448198 1.220899
N 4.616555 0.114611 0.017407
N -1.074945 -0.370360 -0.067710
N -4.314422 1.515585 1.963448
C 3.215381 0.008626 0.009016
C 5.301628 1.182439 0.768829
C 5.468711 -0.825939 -0.731488
C 1.146955 -1.215202 -0.644236
C 2.550831 -1.092106 -0.618453
C 0.342268 -0.214912 -0.014980
C 2.382801 0.991796 0.627435
C 0.982530 0.879667 0.620833
C 5.460945 2.501882 -0.025633
C 5.824787 -2.111142 0.055686
C 0.511649 -2.414445 -1.333344
C -2.069519 0.433658 0.477626
C -3.479574 0.037545 0.177522
C -4.557410 0.588456 0.970500
C -3.811034 -0.861193 -0.877498
C -5.895100 0.147230 0.711858
C -5.131292 -1.269387 -1.132999
C -6.176032 -0.765192 -0.313891
H 4.762624 1.371500 1.715856
H 6.302223 0.806810 1.056956
H 4.978197 -1.089406 -1.687785
H 6.401714 -0.296490 -1.004271
H 3.134312 -1.887736 -1.091960
H 2.822110 1.867440 1.113214
H 0.365190 1.638191 1.104265
H 6.046950 2.335053 -0.947773
H 4.477917 2.908921 -0.319265
H 5.985902 3.262407 0.582554
H 6.369024 -1.862189 0.984789
H 4.914738 -2.668087 0.338408
H 6.467497 -2.776127 -0.551611
H 1.285403 -3.084160 -1.743200
H -0.103686 -3.020139 -0.637445
H -0.136090 -2.113222 -2.182152
H -1.397874 -1.211252 -0.546323
H -3.025311 -1.227130 -1.551249
H -6.708294 0.550177 1.328274
H -5.350852 -1.953870 -1.958043
H -7.211657 -1.076544 -0.492380
H -3.347990 1.864378 2.046378
H -5.079215 1.878859 2.525934


