%chk=000044792.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044792

0 1
 O   -2.883300       1.206000      -1.031200    
 N    3.454600     -0.3617000     -0.5377000    
 C    1.001800     -0.5884000     -0.2233000    
 C  -0.3108000      0.2067000     -2.1800000E-02
 C   -1.574500     -0.6485000     -0.2162000    
 C    2.236100      0.3543000     -0.1456000    
 C   -2.898300      0.1342000     -8.5800000E-02
 C    1.091200      -1.773100      0.7491000    
 C    2.464700      0.9821000       1.230000    
 C   -3.093100      0.7235000       1.312900    
 C   -4.074400     -0.7836000     -0.4359000    
 C    4.585900      0.5485000     -0.5945000    
 H   0.9730000      -1.006000      -1.240000    
 H  -0.3273000       1.047500     -0.7253000    
 H  -0.3309000      0.6297000      0.9869000    
 H   -1.589100      -1.471700      0.5069000    
 H   -1.520100      -1.097600      -1.216700    
 H    2.060200       1.166100     -0.8649000    
 H    2.061000      -2.276200      0.6819000    
 H   0.9486000      -1.451000       1.785700    
 H   0.3345000      -2.530400      0.5225000    
 H    3.189000       1.802900       1.196900    
 H    1.547000       1.424700       1.627300    
 H    2.815600      0.2462000       1.962400    
 H    3.313000     -0.7753000      -1.459200    
 H   -4.066800       1.221500       1.388800    
 H   -3.040700     -4.8799999E-02   2.086900    
 H   -2.347300       1.494700       1.531300    
 H   -3.973900      -1.182100      -1.451900    
 H   -5.019800     -0.2295000     -0.4154000    
 H   -4.149700      -1.625200      0.2604000    
 H   -2.766700      0.8240000      -1.917900    
 H    4.369300       1.454600      -1.170300    
 H    5.417900      4.1999999E-02  -1.096100    
 H    4.956500      0.8177000      0.3990000    


%chk=000044792-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044792

0 1
O -2.856818 1.162948 -1.210499
N 3.399456 -0.244904 -0.636962
C 1.000518 -0.557318 -0.111259
C -0.335583 0.171477 0.186077
C -1.584718 -0.682566 -0.124023
C 2.217384 0.418206 -0.022062
C -2.922769 0.109497 -0.153303
C 1.195330 -1.819712 0.763854
C 2.544190 0.863737 1.420510
C -3.177822 0.899208 1.141825
C -4.100841 -0.840873 -0.465457
C 4.595423 0.600725 -0.823420
H 0.955438 -0.889992 -1.175851
H -0.391651 1.100537 -0.416880
H -0.353600 0.476427 1.250958
H -1.680064 -1.503198 0.614011
H -1.453559 -1.170454 -1.115478
H 1.934679 1.338904 -0.600392
H 2.210196 -2.230002 0.619848
H 1.069312 -1.581981 1.837169
H 0.461104 -2.604928 0.507817
H 3.318719 1.651143 1.430623
H 1.648281 1.278544 1.915124
H 2.916523 0.009705 2.012537
H 3.128068 -0.699494 -1.520523
H -4.158927 1.402201 1.089305
H -3.168780 0.226741 2.018307
H -2.406582 1.674479 1.280106
H -3.918840 -1.406969 -1.400210
H -5.032338 -0.260599 -0.586897
H -4.250278 -1.575587 0.347206
H -2.743970 0.711101 -2.086807
H 4.392868 1.569980 -1.343837
H 5.345551 0.044641 -1.413743
H 5.057304 0.836177 0.151526


