%chk=000045278.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045278

0 1
 O   -1.653300       1.432600     -0.4731000    
 N  -0.7411000     -0.7192000     -0.2496000    
 N   -4.152300      0.3758000      2.8200001E-02
 C   0.6453000     -0.4651000     -0.1212000    
 C    1.534600      -1.515800      3.8199998E-02
 C    2.445800       1.120000     -3.1099999E-02
 C    3.353100      7.2600000E-02  0.1294000    
 C    1.083200      0.8496000     -0.1575000    
 C    2.897400      -1.245400      0.1642000    
 C   -3.106100     -0.4933000     -0.5095000    
 C   -1.764400      0.2122000     -0.4138000    
 C    1.074400      -2.937000      8.0600001E-02
 C    2.910900       2.538600     -7.2899997E-02
 C    4.816900      0.3373000      0.2661000    
 C   -3.881200      0.6953000       1.429300    
 C   -5.463200     -0.2581000     -0.1072000    
 H   0.4369000       1.704800     -0.2797000    
 H    3.604700      -2.061800      0.2898000    
 H   -1.012000      -1.698200     -0.2260000    
 H   -3.083300      -1.454000      1.9900000E-02
 H   -3.282800     -0.6941000      -1.573100    
 H   0.3880000      -3.094900      0.9191000    
 H   0.5777000      -3.209100     -0.8566000    
 H    1.911300      -3.631400      0.2148000    
 H    2.078800       3.240000     -0.1986000    
 H    3.417400       2.805500      0.8603000    
 H    3.593400       2.695000     -0.9147000    
 H    5.016600      0.9510000       1.150500    
 H    5.388700     -0.5901000      0.3809000    
 H    5.201700      0.8451000     -0.6243000    
 H   -2.979700       1.298600       1.568900    
 H   -3.791600     -0.2063000       2.047100    
 H   -4.698400       1.299600       1.841600    
 H   -6.253900      0.4123000      0.2477000    
 H   -5.529800      -1.197500      0.4537000    
 H   -5.681400     -0.4689000      -1.160000    


%chk=000045278-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045278

0 1
O -1.672268 1.492000 -0.314790
N -0.723394 -0.650691 -0.102436
N -4.280092 0.269492 0.113535
C 0.677001 -0.379623 -0.046897
C 1.562858 -1.492062 0.082746
C 2.588123 1.178699 -0.060710
C 3.488260 0.079730 0.066660
C 1.196552 0.938349 -0.115633
C 2.949591 -1.227472 0.135412
C -3.147642 -0.499044 -0.398944
C -1.790964 0.236260 -0.255803
C 1.044974 -2.919470 0.161405
C 3.107005 2.603869 -0.137253
C 4.989481 0.296488 0.129603
C -4.199012 0.574541 1.552292
C -5.580647 -0.281058 -0.300959
H 0.496269 1.770777 -0.210583
H 3.638099 -2.076597 0.234093
H -0.982877 -1.636997 -0.025020
H -3.060458 -1.518715 0.077244
H -3.309999 -0.673745 -1.481949
H 0.384926 -3.080146 1.038401
H 0.477316 -3.212114 -0.745641
H 1.882440 -3.629888 0.257850
H 2.277567 3.324678 -0.226896
H 3.694559 2.872047 0.762238
H 3.776647 2.747322 -1.007610
H 5.276220 0.923139 0.996526
H 5.528881 -0.662432 0.214795
H 5.365211 0.816360 -0.773049
H -3.263886 1.119817 1.761712
H -4.239071 -0.337602 2.202649
H -5.040569 1.231609 1.833678
H -6.386977 0.403462 0.017044
H -5.801890 -1.292024 0.130199
H -5.619934 -0.363258 -1.402508


