%chk=000043312.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043312

0 1
 O    2.926000       1.576400      0.2267000    
 N    2.395300     -0.7205000      0.2750000    
 C    4.713000     -4.1099999E-02  0.3756000    
 C    5.771700       1.061400      0.1658000    
 C    5.310000     -0.7431000     -0.8621000    
 C    6.628000     -3.8999999E-03 -0.5501000    
 C    3.230400      0.3898000      0.2833000    
 C   -1.048800      0.5051000      5.5399999E-02
 C   -1.994700       1.684600     -3.0600000E-02
 C   -1.771300     -0.7092000      5.6200001E-02
 C    1.001700     -0.6988000      0.2006000    
 C   -3.342800      0.9964000     -7.8900002E-02
 C   -3.183900     -0.4067000     -2.6300000E-02
 C   0.3330000      0.5245000      0.1269000    
 C   -1.107600      -1.922500      0.1292000    
 C   0.2888000      -1.910000      0.2018000    
 C   -4.595000       1.579600     -0.1612000    
 C   -4.288700      -1.241400     -5.6299999E-02
 C   -5.708400      0.7380000     -0.1914000    
 C   -5.556900     -0.6584000     -0.1395000    
 H    4.903500     -0.6048000       1.301700    
 H    6.209300       1.479600       1.076200    
 H    5.463700       1.883500     -0.4906000    
 H    4.854100     -0.4507000      -1.815300    
 H    5.361500      -1.834000     -0.8120000    
 H    7.195500      0.3442000      -1.416500    
 H    7.297100     -0.5566000      0.1194000    
 H    2.827300      -1.640100      0.3287000    
 H   -1.912200       2.313300      0.8608000    
 H   -1.818700       2.256600     -0.9463000    
 H   0.7970000       1.497800      0.1207000    
 H   -1.644200      -2.865400      0.1312000    
 H   0.8192000      -2.858200      0.2598000    
 H   -4.713500       2.656700     -0.2010000    
 H   -4.187700      -2.320800     -1.6799999E-02
 H   -6.705300       1.165900     -0.2558000    
 H   -6.439100      -1.292900     -0.1644000    


%chk=000043312-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043312

0 1
O 3.067484 1.305397 -0.480854
N 2.385235 -0.836610 0.207388
C 4.790882 -0.348743 0.018436
C 5.784088 0.613500 0.770068
C 5.699880 -0.183758 -1.260387
C 6.856078 0.334266 -0.338270
C 3.348677 0.124541 -0.107906
C -1.116083 0.467661 -0.158427
C -2.068482 1.610257 -0.492786
C -1.862897 -0.695245 0.200674
C 0.964823 -0.730740 0.184886
C -3.443017 0.982607 -0.286783
C -3.300178 -0.380188 0.121505
C 0.286674 0.469087 -0.172539
C -1.184063 -1.882837 0.553367
C 0.224148 -1.894254 0.543761
C -4.719195 1.550715 -0.440696
C -4.440290 -1.175563 0.374868
C -5.863284 0.752110 -0.185509
C -5.722378 -0.599295 0.218404
H 4.856175 -1.379180 0.417940
H 6.034047 0.358502 1.812763
H 5.405318 1.648396 0.718764
H 5.301242 0.619951 -1.902580
H 5.880387 -1.087908 -1.864301
H 7.440447 1.194718 -0.701041
H 7.550371 -0.474869 -0.049934
H 2.748746 -1.748752 0.493679
H -1.908076 2.484965 0.167532
H -1.928193 1.971295 -1.530552
H 0.869660 1.350895 -0.445234
H -1.734485 -2.787902 0.832266
H 0.760896 -2.812595 0.816141
H -4.835291 2.595095 -0.753042
H -4.340115 -2.221089 0.688123
H -6.864706 1.181749 -0.301196
H -6.617225 -1.201878 0.411374


