%chk=000023155.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023155

0 1
 O   0.6920000     -0.6554000       1.795000    
 O  -0.8984000       2.051900      -1.056600    
 O   0.3563000       3.705100     -0.1605000    
 N   0.7460000      0.1311000     -0.3855000    
 N   -4.187500      -1.316000      -1.396500    
 N   0.9704000      -3.166900      0.3236000    
 C   -1.384500      -2.490700      0.6273000    
 C  -2.0800000E-02  -2.135000      1.3700000E-02
 C   -2.532500      -1.777000     -3.0900000E-02
 C   -3.049600     -0.5254000      0.3521000    
 C    1.229400       1.451500     -5.9999999E-02
 C   0.5144000     -0.8275000      0.5900000    
 C   -4.099200     -0.2518000     -0.5275000    
 C    2.557900       1.744300     -0.7693000    
 C   -3.232700      -2.250400      -1.097300    
 C   -2.743000      0.4151000       1.355500    
 C    3.640100      0.7486000     -0.4277000    
 C   -4.860500      0.9202000     -0.4537000    
 C   0.2029000       2.515800     -0.4190000    
 C   -3.495900       1.591900       1.441300    
 C   -4.537900       1.838500      0.5496000    
 C    4.470000      0.9922000      0.6551000    
 C    3.783700     -0.3914000      -1.202800    
 C    5.469800      7.2200000E-02  0.9710000    
 C    4.783300      -1.311400     -0.8869000    
 C    5.626400      -1.079600      0.2001000    
 H   -1.565700      -3.569900      0.5209000    
 H   -1.396700      -2.293400       1.707100    
 H  -0.1065000      -2.069800      -1.077400    
 H    1.367400       1.518300       1.026000    
 H    2.408900       1.755300      -1.858300    
 H    2.904200       2.756700     -0.5212000    
 H   -3.150000      -3.158600      -1.677900    
 H   0.5292000     -7.1500003E-02  -1.356900    
 H   -4.860100      -1.395100      -2.146700    
 H   -1.939800      0.2394000       2.064300    
 H   0.6561000      -4.064300     -4.3600000E-02
 H    1.844500      -2.955500     -0.1569000    
 H   -5.671800       1.113100      -1.147600    
 H   -3.264100       2.320700       2.213500    
 H   -5.109600       2.759200      0.6343000    
 H    4.353800       1.885000       1.262600    
 H    3.134600     -0.5815000      -2.052800    
 H    6.125600      0.2522000       1.817800    
 H    4.905000      -2.208500      -1.486900    
 H    6.404400      -1.796200      0.4462000    
 H   -1.532300       2.770600      -1.266100    


%chk=000023155-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000023155

0 1
O 1.170620 -0.813082 2.225653
O -0.923078 1.910862 -0.972215
O -0.342542 3.120444 0.932477
N 0.576867 -0.179582 0.065481
N -3.509139 -1.119189 -1.743765
N 0.781265 -3.437794 1.629873
C -1.523157 -2.484068 1.134676
C 0.030914 -2.479068 0.821560
C -2.375739 -1.710158 0.160177
C -2.945077 -0.384273 0.343766
C 1.057575 1.203482 0.202517
C 0.640805 -1.088027 1.100809
C -3.645341 -0.037869 -0.867769
C 2.114587 1.582694 -0.872958
C -2.744850 -2.120630 -1.124595
C -2.915920 0.550959 1.412072
C 3.378310 0.726201 -0.878056
C -4.294394 1.205561 -1.039115
C -0.116657 2.188052 0.136055
C -3.559544 1.793003 1.250426
C -4.238289 2.120218 0.036338
C 3.898639 0.118899 0.293369
C 4.094181 0.574565 -2.094003
C 5.108164 -0.610648 0.247372
C 5.304663 -0.151536 -2.141735
C 5.818637 -0.746965 -0.966750
H -1.824161 -3.550521 1.132614
H -1.665720 -2.115242 2.167742
H 0.141263 -2.708434 -0.259449
H 1.483578 1.290966 1.215554
H 1.636907 1.548940 -1.870763
H 2.390111 2.643279 -0.696492
H -2.534917 -3.059196 -1.635760
H 0.072773 -0.427342 -0.789497
H -3.904976 -1.175091 -2.679347
H -2.386198 0.320808 2.343127
H 0.326094 -4.339231 1.784024
H 1.194792 -3.013668 2.467466
H -4.828881 1.455110 -1.962723
H -3.529686 2.528692 2.060168
H -4.738138 3.090918 -0.054380
H 3.361353 0.190982 1.245535
H 3.700459 1.031668 -3.011179
H 5.489577 -1.078777 1.161685
H 5.842066 -0.254888 -3.091433
H 6.755525 -1.314380 -0.998834
H -1.786125 2.409458 -0.919218


