%chk=000122027.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122027

0 1
 O  -0.8789000      -2.409100     -0.5994000    
 O    2.631100      -2.043100      0.4763000    
 O    2.582800       1.333300       2.136600    
 O   -4.529300       1.999100      3.3700000E-02
 N    1.724900      0.7478000      4.5800000E-02
 N   -3.277900       2.370700      0.4939000    
 N   -4.534600      0.7015000     -0.4485000    
 C   0.9075000     -0.3528000      0.5161000    
 C    1.399300      -1.652500     -0.1268000    
 C   0.3648000      -2.782000      1.6500000E-02
 C  -0.5649000     -0.1149000      0.2458000    
 C    1.610800       1.140300      -1.353200    
 C   -1.370900      -1.157000     -0.3054000    
 C    2.981600       1.403700      -1.963900    
 C    2.496000       1.510700      0.9230000    
 C   0.8486000      -4.022000     -0.7565000    
 C   0.1089000      -3.208900       1.473200    
 C    3.910700       2.182800      -1.030200    
 C    3.220800       2.655800      0.2428000    
 C   -1.118800       1.146300      0.5873000    
 C   -2.741800      -1.007100     -0.6129000    
 C   -2.487000       1.307900      0.3003000    
 C   -3.283800      0.2494000     -0.2944000    
 H    1.028100     -0.4347000       1.604000    
 H    1.597200      -1.504200      -1.194900    
 H    1.018400       2.063400      -1.383300    
 H    1.074100      0.3978000      -1.950900    
 H    2.862900       1.939300      -2.913000    
 H    3.458800      0.4465000      -2.209500    
 H    1.754800      -4.457400     -0.3242000    
 H   7.2999999E-02  -4.797300     -0.7676000    
 H    1.046000      -3.775200      -1.806100    
 H    1.021500      -3.573900       1.955700    
 H  -0.2924000      -2.390400       2.078900    
 H  -0.6422000      -4.006700       1.512500    
 H    4.341400       3.039400      -1.561000    
 H    4.753800       1.534600     -0.7581000    
 H    2.495100       3.447900      2.6000001E-02
 H    3.964200       3.066200      0.9348000    
 H  -0.5337000       1.940300       1.036100    
 H    3.048100      -2.707200     -9.7599998E-02
 H   -3.331700      -1.806700      -1.045100    


%chk=000122027-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122027

0 1
O -0.964106 -2.503355 -0.540692
O 2.700334 -1.866624 0.105001
O 2.381821 1.181821 2.172579
O -4.708092 1.976918 0.049507
N 1.641865 0.837815 -0.020097
N -3.377759 2.406767 0.404694
N -4.748531 0.577847 -0.343968
C 0.853741 -0.340564 0.376942
C 1.322898 -1.629281 -0.327784
C 0.393334 -2.827505 0.034009
C -0.653664 -0.133268 0.186724
C 1.683408 1.317364 -1.419201
C -1.502935 -1.243106 -0.252417
C 3.142272 1.407922 -1.934070
C 2.413664 1.491640 0.942155
C 0.806797 -4.100770 -0.714400
C 0.269371 -3.068770 1.548696
C 4.079279 2.084100 -0.882346
C 3.295915 2.593454 0.361285
C -1.216562 1.114495 0.432099
C -2.874745 -1.104190 -0.457493
C -2.620989 1.287674 0.235153
C -3.450058 0.177232 -0.219739
H 1.076526 -0.451136 1.459996
H 1.272496 -1.511435 -1.433728
H 1.199335 2.312423 -1.489347
H 1.086226 0.636101 -2.049697
H 3.141625 1.973447 -2.884865
H 3.508020 0.390158 -2.159401
H 1.719869 -4.536326 -0.271485
H 0.002806 -4.851623 -0.635958
H 0.979729 -3.898646 -1.787050
H 1.276261 -3.142094 1.996092
H -0.270591 -2.250881 2.055783
H -0.278397 -4.006800 1.740398
H 4.630898 2.928016 -1.334287
H 4.835235 1.356752 -0.536465
H 2.663610 3.459812 0.080142
H 3.978132 2.929858 1.158238
H -0.592646 1.948496 0.763679
H 3.113989 -2.547298 -0.483105
H -3.473085 -1.954843 -0.788777


