%chk=000032952.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032952

0 1
 O   -1.413400      0.9359000     -0.2544000    
 N   -4.018400      0.6338000      0.8749000    
 N  -0.1204000       1.465800     -0.1847000    
 C   -3.761500       1.486100     -0.2849000    
 C   -2.330200       2.019100     -0.2113000    
 C   -4.011300      0.7054000      -1.575600    
 C   0.7219000      0.4814000     -0.2237000    
 C    2.170200      0.7687000     -0.1651000    
 C   0.2697000     -0.9179000     -0.3857000    
 C    3.028900      0.1123000      0.7267000    
 C   0.7030000      -1.947000      0.4608000    
 C   -5.405000      0.1683000      0.8705000    
 C   -3.725100       1.353700       2.113800    
 C    2.586500     -0.8644000       1.728200    
 C    1.586200      -1.747800       1.615100    
 C    2.660400       1.753500      -1.036500    
 C  -0.6282000      -1.183700      -1.431300    
 C    4.387500      0.4724000      0.7281000    
 C   0.2005000      -3.241900      0.2454000    
 C    4.013300       2.085000      -1.028600    
 C   -1.102500      -2.477100      -1.636800    
 C    4.877100       1.444500     -0.1469000    
 C  -0.6892000      -3.506300     -0.7980000    
 H   -4.434200       2.355300     -0.2817000    
 H   -2.150200       2.649800      -1.092700    
 H   -2.142000       2.660300      0.6570000    
 H   -5.080200      0.5700000      -1.770800    
 H   -3.539500     -0.2825000      -1.559000    
 H   -3.606100       1.248500      -2.437100    
 H   -5.600700     -0.5308000      5.1600002E-02
 H   -6.122900      0.9949000      0.8146000    
 H   -5.620800     -0.3995000       1.783700    
 H   -4.201500       2.340300       2.152600    
 H   -2.649300       1.456800       2.286500    
 H   -4.084000      0.7840000       2.980100    
 H    3.164400     -0.8798000       2.650900    
 H    1.418100      -2.422600       2.452900    
 H    1.999400       2.263600      -1.733100    
 H  -0.9270000     -0.4147000      -2.140200    
 H    5.085000     -2.0000001E-03   1.416300    
 H   0.4997000      -4.065900      0.8908000    
 H    4.391600       2.843600      -1.707300    
 H   -1.785600      -2.682600      -2.455500    
 H    5.931600       1.704500     -0.1333000    
 H   -1.058900      -4.515700     -0.9525000    


%chk=000032952-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000032952

0 1
O -1.515822 0.857967 -0.228872
N -4.399327 0.697631 0.492112
N -0.109781 1.258485 -0.196632
C -3.791906 1.800740 -0.307960
C -2.318134 2.076032 0.036205
C -3.946974 1.529611 -1.823536
C 0.734224 0.232006 -0.176034
C 2.161790 0.673903 -0.249252
C 0.361381 -1.214345 -0.184352
C 3.177457 0.177801 0.632414
C 0.945118 -2.160098 0.722375
C -5.875126 0.729403 0.455568
C -3.895593 0.551050 1.872761
C 2.976373 -0.877287 1.629065
C 2.023863 -1.865400 1.670662
C 2.490953 1.695939 -1.180201
C -0.639871 -1.656165 -1.091608
C 4.478479 0.761998 0.561724
C 0.453256 -3.500827 0.715087
C 3.788436 2.240535 -1.248615
C -1.076626 -2.994504 -1.110601
C 4.790137 1.772752 -0.364053
C -0.535580 -3.922943 -0.189277
H -4.306235 2.774726 -0.071209
H -1.941811 2.896325 -0.602685
H -2.184571 2.368219 1.094338
H -5.005572 1.424936 -2.115666
H -3.419301 0.597996 -2.086877
H -3.519117 2.362808 -2.411884
H -6.241813 0.684463 -0.583652
H -6.309328 1.646319 0.934247
H -6.274704 -0.152584 0.986824
H -4.079262 1.444245 2.524726
H -2.815280 0.333559 1.860461
H -4.401805 -0.312304 2.341085
H 3.752292 -0.919639 2.406337
H 2.129322 -2.603939 2.477954
H 1.701690 2.064690 -1.841837
H -1.090192 -0.931413 -1.774043
H 5.252169 0.396842 1.247984
H 0.882895 -4.218073 1.424820
H 4.015475 3.027432 -1.975988
H -1.851488 -3.305334 -1.819384
H 5.801117 2.193086 -0.399678
H -0.884310 -4.961344 -0.179051


