%chk=000045662.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045662

1 1
 O    3.840400      0.7802000      9.9999997E-05
 N   -2.767600     -0.4996000     -9.9999997E-05
 N    2.099800     -0.8070000     -9.9999997E-05
 N    4.318300      -1.454200     -3.9999999E-04
 C   -1.392600      0.1729000     -5.0000002E-04
 C   -3.526200     -6.5800004E-02  -1.251100    
 C   -3.517800     -8.2599998E-02   1.261900    
 C   -2.665100      -2.023400     -1.0100000E-02
 C  -0.3111000     -0.6423000     -1.9999999E-04
 C   -1.373700       1.527200     -3.0000001E-04
 C   0.9417000     -2.8800000E-02  3.9999999E-04
 C  -0.1210000       2.140900      9.9999997E-05
 C    1.036700       1.362800      5.0000002E-04
 C    3.438200     -0.3804000     -1.9999999E-04
 H   -2.921700     -0.3102000      -2.130500    
 H   -4.472600     -0.6156000      -1.281800    
 H   -3.739900       1.005600      -1.206600    
 H   -3.726300      0.9905000       1.234800    
 H   -4.466100     -0.6289000       1.289200    
 H   -2.909000     -0.3425000       2.133900    
 H   -2.165100      -2.365500      0.9020000    
 H   -3.685000      -2.425200     -1.2600000E-02
 H   -2.164800      -2.353000     -0.9266000    
 H  -0.3272000      -1.723400      9.9999997E-05
 H   -2.257200       2.153500      8.9999998E-04
 H  -4.8000000E-02   3.224700      6.0000003E-04
 H    1.969600       1.909000      1.0000000E-03
 H    1.956100      -1.813900     -5.0000002E-04
 H    5.322400      -1.309100     -3.0000001E-04
 H    3.989600      -2.413900     -6.0000003E-04


%chk=000045662-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045662

1 1
O 3.864784 0.802005 0.001515
N -2.814773 -0.518660 0.000087
N 2.155309 -0.836537 -0.002941
N 4.424725 -1.454906 -0.006465
C -1.428303 0.140191 0.001936
C -3.585314 -0.080213 -1.254925
C -3.585465 -0.087336 1.257489
C -2.755815 -2.044487 -0.004208
C -0.261745 -0.644961 -0.001132
C -1.374287 1.550435 0.006504
C 1.016767 -0.008919 0.000408
C -0.102317 2.164561 0.008100
C 1.086527 1.413673 0.005164
C 3.516560 -0.409816 -0.002401
H -3.012860 -0.389509 -2.141674
H -4.577390 -0.558192 -1.247885
H -3.694088 1.012109 -1.253587
H -3.695117 1.004891 1.261950
H -4.577203 -0.565972 1.248020
H -3.012708 -0.400886 2.142541
H -2.237092 -2.395522 0.899375
H -3.788228 -2.425686 -0.005593
H -2.236594 -2.390429 -0.909469
H -0.300499 -1.737834 -0.004679
H -2.271130 2.177315 0.008799
H -0.040098 3.256992 0.011681
H 2.065106 1.896604 0.006399
H 1.983913 -1.844183 -0.006189
H 5.410607 -1.199059 -0.006189
H 4.181529 -2.443670 -0.009630


