%chk=000044302.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044302

0 1
 O    2.334800      -2.160600      2.0700000E-02
 N    3.683200      0.3090000     -3.1000001E-03
 C    2.273000      0.2376000     -2.2000000E-03
 C  -0.5143000      0.1261000     -8.9999998E-04
 C    1.624500     -0.9974000      9.9999998E-03
 C   -1.960100      6.8599999E-02 -7.9999998E-04
 C   0.2307000      -1.053200      1.0500000E-02
 C    1.527900       1.416700     -1.3500000E-02
 C   0.1342000       1.361000     -1.2800000E-02
 C    4.414800      0.3582000       1.246200    
 C    4.415100      0.3200000      -1.253200    
 C   -2.657300      5.3500000E-02   1.207400    
 C   -2.656900      2.9100001E-02  -1.208500    
 C   -4.051000     -1.6000000E-03   1.207900    
 C   -4.050800     -2.5800001E-02  -1.208000    
 C   -4.747700     -4.1200001E-02  1.9999999E-04
 H  -0.2658000      -2.021300      1.9800000E-02
 H    2.022200       2.384900     -2.3000000E-02
 H  -0.4316000       2.289600     -2.1900000E-02
 H    4.284300       1.334700       1.724000    
 H    5.487600      0.1958000       1.098200    
 H    4.061200     -0.4146000       1.937500    
 H    5.467700      0.5849000      -1.107600    
 H    3.988900       1.053100      -1.947000    
 H    4.378600     -0.6660000      -1.727700    
 H   -2.129700      8.3999999E-02   2.157900    
 H   -2.129200      4.0399998E-02  -2.159300    
 H   -4.593800     -1.3400000E-02   2.148500    
 H   -4.593500     -5.6699999E-02  -2.148200    
 H   -5.832900     -8.3999999E-02  5.0000002E-04
 H    3.283100      -1.945700      3.1599998E-02


%chk=000044302-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044302

0 1
O 2.385598 -2.151589 0.864560
N 3.796399 -0.054850 0.028482
C 2.344093 0.078496 -0.037460
C -0.504271 0.040059 -0.021624
C 1.632309 -1.062946 0.436361
C -1.997012 0.030506 -0.009647
C 0.224818 -1.086052 0.446637
C 1.622611 1.193064 -0.509871
C 0.210431 1.175010 -0.503409
C 4.409223 0.693062 1.160900
C 4.501862 0.165883 -1.258638
C -2.716380 -0.659515 1.005328
C -2.742351 0.710232 -1.012794
C -4.127321 -0.670657 1.017365
C -4.153469 0.703074 -1.000772
C -4.854734 0.011808 0.014534
H -0.285854 -1.994579 0.779271
H 2.155933 2.079684 -0.873323
H -0.341477 2.060130 -0.836536
H 4.344113 1.796591 1.028756
H 5.474786 0.414398 1.250504
H 3.895539 0.425616 2.099478
H 5.555128 -0.151874 -1.155253
H 4.494502 1.231225 -1.583530
H 4.026998 -0.442045 -2.045980
H -2.165800 -1.165628 1.806243
H -2.212762 1.220599 -1.825144
H -4.658838 -1.203683 1.813850
H -4.705663 1.227286 -1.789087
H -5.950348 0.004170 0.023535
H 3.339138 -1.851775 0.670460


