%chk=000041937.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041937

0 1
 O   -2.713800      -1.388600      1.6200000E-02
 N   -2.808500      0.9242000     -0.2645000    
 C   0.1759000     -6.9799997E-02  0.4832000    
 C  -0.7173000     -0.2326000     -0.5194000    
 C    1.636700      1.2100000E-02  0.2495000    
 C   -2.186700     -0.3107000     -0.2409000    
 C  -0.2050000      1.7300000E-02   1.939700    
 C  -0.3813000     -0.3635000      -1.976900    
 C    2.211400       1.248500      2.5699999E-02
 C    2.383800      -1.149800      0.2617000    
 C   -4.212800       1.105800      2.2200000E-02
 C    3.586500       1.325700     -0.1946000    
 C    3.759100      -1.072500      4.1499998E-02
 C   -4.888400     -0.2114000      0.3434000    
 C    4.360300      0.1653000     -0.1867000    
 H   -1.279700     -7.9599999E-02   2.116600    
 H   0.1043000      0.9819000       2.357200    
 H   0.2851000     -0.7776000       2.512900    
 H  -0.8336000      0.4570000      -2.544200    
 H  -0.7735000      -1.307700      -2.370200    
 H   0.6922000     -0.3487000      -2.182400    
 H   -4.290800       1.800000      0.8645000    
 H   -4.670700       1.576900     -0.8529000    
 H   -2.262300       1.753300     -0.4805000    
 H    1.618200       2.158700      1.7300000E-02
 H    1.926100      -2.119300      0.4381000    
 H    4.054800       2.289400     -0.3724000    
 H    4.361700      -1.976000      4.7499999E-02
 H   -4.888100     -0.9081000     -0.5011000    
 H   -4.499800     -0.6792000       1.253900    
 H   -5.946800     -8.9999996E-03  0.5513000    
 H    5.431100      0.2254000     -0.3583000    


%chk=000041937-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041937

0 1
O -2.747459 -1.529313 -1.185106
N -2.901444 0.622587 -0.301302
C 0.109366 -0.061094 0.238842
C -0.678383 -0.281618 -0.864347
C 1.607824 0.021004 0.152038
C -2.181577 -0.466481 -0.774351
C -0.431729 0.045147 1.662193
C -0.176706 -0.437961 -2.291289
C 2.302313 1.143315 0.680722
C 2.372808 -1.044294 -0.397527
C -4.370146 0.618774 -0.184436
C 3.712295 1.211692 0.637846
C 3.783483 -0.982472 -0.432405
C -4.858046 0.524885 1.277662
C 4.460093 0.147960 0.081370
H -1.516448 -0.135633 1.719823
H -0.221810 1.040422 2.101544
H 0.076726 -0.693119 2.310313
H -0.739478 0.229847 -2.971624
H -0.357868 -1.469617 -2.645827
H 0.895673 -0.208849 -2.386145
H -4.773072 1.530538 -0.666213
H -4.720470 -0.255004 -0.760297
H -2.380166 1.452921 -0.013994
H 1.735074 1.976141 1.113233
H 1.854026 -1.930312 -0.780091
H 4.226735 2.092461 1.038815
H 4.353033 -1.817951 -0.855052
H -4.501192 -0.409621 1.744638
H -4.496638 1.377360 1.882662
H -5.963051 0.528210 1.312280
H 5.554336 0.197475 0.053426


