%chk=000044644.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044644

2 1
 O   4.0100001E-02  -1.132100      0.4780000    
 N   -3.582500      -1.687500     -9.6000005E-03
 N    3.691000      -1.694300     -5.1700000E-02
 C   -2.357900      -1.046900      0.5329000    
 C    2.438600      -1.075500      0.5521000    
 C   -4.842400      -1.055300      0.5972000    
 C    4.923200      -1.018300      0.5320000    
 C   -1.136100      -1.716700     -6.4700000E-02
 C    1.213900      -1.730700     -5.5199999E-02
 C   -3.599300      -3.188200      0.3110000    
 C   -3.653100      -1.524000      -1.534000    
 C    3.674200      -1.502400      -1.561300    
 C    3.727900      -3.181400      0.2703000    
 C   -4.976200      0.4059000      0.2838000    
 C    4.968600      0.4566000      0.2607000    
 C   -4.419400       1.356400       1.139500    
 C    5.590000      0.9346000     -0.8932000    
 C   -5.657000      0.8138000     -0.8634000    
 C    4.389100       1.349900       1.161900    
 C   -4.543600       2.714900      0.8483000    
 C    5.632100       2.305800      -1.145700    
 C   -5.780900       2.172400      -1.154600    
 C    4.431200       2.721100      0.9091000    
 C   -5.224200       3.122800     -0.2987000    
 C    5.052700       3.198900     -0.2447000    
 H   -2.360700      -1.130600       1.626300    
 H   -2.336300      1.4600000E-02  0.2680000    
 H    2.400300     -8.8000000E-03  0.3168000    
 H    2.469400      -1.200200       1.640900    
 H   -5.712100      -1.609900      0.2212000    
 H   -4.798400      -1.221300       1.681400    
 H    4.925500      -1.215000       1.612100    
 H    5.808400      -1.515600      0.1145000    
 H   -1.097400      -1.589800      -1.150700    
 H   -1.098400      -2.783000      0.1723000    
 H    1.171100      -2.797500      0.1810000    
 H    1.177300      -1.603200      -1.140500    
 H   -3.391300      -3.316700       1.377200    
 H   -4.595500      -3.575400      7.3600002E-02
 H   -2.868400      -3.714800     -0.3071000    
 H   -3.407200     -0.4938000      -1.804600    
 H   -2.941100      -2.209000      -2.003500    
 H   -4.657600      -1.801300      -1.868000    
 H    3.366900     -0.4818000      -1.805400    
 H    4.675300      -1.717200      -1.948500    
 H    2.983800      -2.219700      -2.014800    
 H    3.571400      -3.312200       1.345100    
 H    2.970900      -3.715200     -0.3091000    
 H    4.714300      -3.563700     -1.1900000E-02
 H   -3.893700       1.054900       2.041700    
 H    6.057700      0.2546000      -1.599800    
 H   -6.109900      8.9000002E-02  -1.533900    
 H    3.911900      0.9953000       2.071600    
 H   -4.111900       3.455100       1.515600    
 H    6.118600       2.678200      -2.042500    
 H   -6.313900       2.490400      -2.045900    
 H    3.982700       3.417000       1.612100    
 H   -5.321900       4.180600     -0.5248000    
 H    5.086700       4.266700     -0.4407000    


%chk=000044644-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044644

2 1
O 0.032159 -1.516838 0.084886
N -3.744264 -1.784841 0.143426
N 3.800777 -1.752813 -0.251316
C -2.305003 -1.272239 0.298897
C 2.382158 -1.351660 0.177117
C -4.731279 -0.753956 0.863373
C 4.847732 -0.916198 0.619469
C -1.220598 -2.112629 -0.403673
C 1.234602 -2.088869 -0.539871
C -3.927655 -3.131348 0.841129
C -4.125469 -1.916820 -1.327152
C 4.032372 -1.471250 -1.732299
C 4.067099 -3.229411 0.035331
C -4.742871 0.640134 0.290671
C 4.774350 0.580468 0.458623
C -3.904843 1.650347 0.838189
C 5.566143 1.237977 -0.522929
C -5.657846 0.986702 -0.741271
C 3.987116 1.363079 1.347591
C -3.960286 2.971206 0.344154
C 5.545343 2.644569 -0.634620
C -5.710619 2.306786 -1.237260
C 3.968993 2.769934 1.237461
C -4.858646 3.299685 -0.698330
C 4.743100 3.412126 0.242409
H -2.087330 -1.241455 1.380483
H -2.285681 -0.241418 -0.088652
H 2.287081 -0.267405 0.006724
H 2.307114 -1.538779 1.261974
H -5.719552 -1.238485 0.783656
H -4.409152 -0.766634 1.918866
H 4.647385 -1.232887 1.657654
H 5.827378 -1.315552 0.305643
H -1.280120 -2.025362 -1.507706
H -1.260168 -3.185846 -0.122910
H 1.264999 -3.185062 -0.369787
H 1.224022 -1.891175 -1.631256
H -3.625942 -3.037676 1.895550
H -4.988589 -3.419036 0.785972
H -3.320729 -3.900936 0.342533
H -3.971977 -0.951498 -1.830155
H -3.512205 -2.700610 -1.796250
H -5.186853 -2.200746 -1.392712
H 3.818864 -0.412601 -1.936632
H 5.084579 -1.687760 -1.972138
H 3.383176 -2.120918 -2.337559
H 3.845782 -3.440070 1.092918
H 3.441314 -3.858335 -0.614667
H 5.126938 -3.445545 -0.168333
H -3.235681 1.416095 1.676135
H 6.226553 0.657446 -1.179393
H -6.354496 0.236441 -1.136039
H 3.417028 0.878589 2.150703
H -3.325673 3.746985 0.783837
H 6.168551 3.142192 -1.383984
H -6.427299 2.567125 -2.022209
H 3.375770 3.365863 1.938080
H -4.912603 4.327294 -1.071499
H 4.741453 4.504120 0.166849


