%chk=000038692.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038692

0 1
 O    2.668400      0.4595000     -0.5107000    
 O    1.497000       1.017500       1.384500    
 N  -0.6746000       1.493300     -0.2300000    
 N   0.5246000       1.081300     -0.7186000    
 C    3.554200     -0.4066000      0.2078000    
 C    2.797300      -1.655600      0.6329000    
 C    4.750300     -0.7402000     -0.6707000    
 C   -1.732300      0.5648000     -0.1359000    
 C    1.555000      0.8685000      0.1679000    
 C   -3.036400       1.012700      7.4800000E-02
 C   -1.474700     -0.8008000     -0.2544000    
 C   -4.082700      9.4999999E-02  0.1667000    
 C   -2.521000      -1.718600     -0.1625000    
 C   -3.825100      -1.270700      4.8200000E-02
 H    3.923800      0.1239000       1.094200    
 H    2.307100      -2.126800     -0.2265000    
 H    3.474900      -2.386300       1.086900    
 H    2.013900      -1.441700       1.365800    
 H    5.462900      -1.384900     -0.1477000    
 H    5.266000      0.1765000     -0.9760000    
 H    4.431000      -1.242100      -1.590700    
 H  -0.8664000       2.486800     -0.2214000    
 H   -3.250000       2.074400      0.1688000    
 H  -0.4740000      -1.192500     -0.4135000    
 H   0.5983000      0.9627000      -1.722600    
 H   -5.098100      0.4436000      0.3308000    
 H   -2.320600      -2.782100     -0.2533000    
 H   -4.639800      -1.985400      0.1202000    


%chk=000038692-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000038692

0 1
O 2.526117 -0.029540 -0.629912
O 1.241497 0.678704 1.229003
N -0.773267 1.387670 -0.688450
N 0.475951 0.856068 -0.995054
C 3.641410 -0.466907 0.284708
C 3.315133 -1.859063 0.842677
C 4.905187 -0.420347 -0.576955
C -1.864514 0.537984 -0.363723
C 1.393803 0.508177 -0.003568
C -3.044638 1.122279 0.171288
C -1.824056 -0.858846 -0.609982
C -4.164510 0.315383 0.455648
C -2.954479 -1.653607 -0.321182
C -4.131333 -1.078445 0.210751
H 3.687609 0.269081 1.109210
H 3.204873 -2.589740 0.021632
H 4.132447 -2.200326 1.504398
H 2.383688 -1.833676 1.432650
H 5.783177 -0.707847 0.029210
H 5.072486 0.594493 -0.976258
H 4.823540 -1.122057 -1.425678
H -0.754071 2.313832 -0.254465
H -3.080503 2.201817 0.365052
H -0.914473 -1.314860 -1.013474
H 0.729221 0.732455 -1.976800
H -5.066679 0.777702 0.872338
H -2.911237 -2.732282 -0.511507
H -5.003378 -1.701902 0.433442


