%chk=000046002.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046002

1 1
 O    1.319200      6.3400000E-02  0.6155000    
 O    2.523200      0.4659000      -1.319100    
 N   -1.979700     -0.9680000     -7.3000002E-03
 N    3.069800      -1.381300     -1.5500000E-02
 C   -1.049400     -0.2258000     -0.9557000    
 C   -2.398300      -2.288600     -0.6372000    
 C   -1.256500      -1.238000       1.304400    
 C   -3.214600     -0.1195000      0.2596000    
 C  -0.5858000       1.093400     -0.4119000    
 C   -3.116200      -2.013600      -1.940400    
 C   -2.186000      -1.975900       2.243000    
 C   0.5768000       1.174200      0.3478000    
 C   -1.336000       2.234400     -0.6789000    
 C   0.9938000       2.408600      0.8457000    
 C  -0.9190000       3.468800     -0.1809000    
 C   0.2458000       3.556100      0.5815000    
 C    2.330400     -0.2345000     -0.3257000    
 C    4.147500      -1.816500     -0.8923000    
 C    2.835200      -2.203100       1.167400    
 H   -1.576800     -2.9600000E-02  -1.894500    
 H  -0.2144000     -0.8937000      -1.196200    
 H   -1.501900      -2.899800     -0.7894000    
 H   -3.090600      -2.808400      2.9600000E-02
 H  -0.3647000      -1.834900       1.090800    
 H  -0.9909000     -0.2898000       1.776300    
 H   -2.981300      0.6385000       1.013900    
 H   -3.538900      0.3676000     -0.6641000    
 H   -4.026500     -0.7580000      0.6215000    
 H   -3.513900      -2.964600      -2.317100    
 H   -3.977600      -1.348000      -1.853100    
 H   -2.454100      -1.651300      -2.730900    
 H   -1.687400      -2.065500       3.216500    
 H   -3.129900      -1.463000       2.440100    
 H   -2.388800      -3.003700       1.931500    
 H   -2.236400       2.191900      -1.284700    
 H    1.899900       2.484000       1.440800    
 H   -1.499100       4.362900     -0.3899000    
 H   0.5708000       4.517400      0.9685000    
 H    5.083800      -1.815000     -0.3269000    
 H    4.254400      -1.158800      -1.758600    
 H    3.930500      -2.830600      -1.240000    
 H    3.766200      -2.271800       1.737700    
 H    2.531100      -3.202200      0.8420000    
 H    2.058800      -1.788000       1.812400    


%chk=000046002-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046002

1 1
O 1.364329 -0.094785 0.644095
O 1.751719 -0.498026 -1.659096
N -2.215482 -0.916683 -0.073544
N 3.166007 -1.409167 -0.013416
C -1.180736 -0.109684 -0.940036
C -2.518053 -2.254674 -0.797554
C -1.579315 -1.219508 1.311333
C -3.491542 -0.108290 0.108787
C -0.609525 1.124290 -0.280418
C -3.020079 -2.129551 -2.241251
C -2.410315 -2.111515 2.240466
C 0.632970 1.112159 0.411745
C -1.269206 2.375854 -0.420454
C 1.174558 2.286361 0.972329
C -0.740571 3.557123 0.138785
C 0.484338 3.510478 0.843415
C 2.114738 -0.665242 -0.465910
C 3.995152 -2.133156 -1.001631
C 3.584580 -1.515402 1.397935
H -1.724943 0.171005 -1.855054
H -0.384628 -0.818284 -1.214872
H -1.577140 -2.831401 -0.760239
H -3.267687 -2.773944 -0.178677
H -0.594052 -1.666043 1.097393
H -1.400385 -0.235764 1.774982
H -3.263313 0.789663 0.701304
H -3.878319 0.190427 -0.876227
H -4.243007 -0.720566 0.627904
H -3.247812 -3.147864 -2.602951
H -3.953489 -1.547574 -2.324366
H -2.267569 -1.708209 -2.926429
H -1.865575 -2.184666 3.198455
H -3.403460 -1.691940 2.473927
H -2.533559 -3.140737 1.865740
H -2.198519 2.428043 -1.000880
H 2.133180 2.229330 1.496503
H -1.267425 4.507524 0.011613
H 0.908563 4.422279 1.275154
H 5.032374 -1.752889 -0.975400
H 3.582779 -1.978081 -2.008817
H 4.006691 -3.213443 -0.768758
H 4.634034 -1.183488 1.501530
H 3.518709 -2.566387 1.735694
H 2.943486 -0.891972 2.033094


