%chk=000041875.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041875

0 1
 O   -2.845800      -3.509300     -0.2987000    
 O    6.465800       2.265000     -0.1946000    
 O    6.841300      0.2072000      0.4715000    
 N    2.460200      -2.075800      0.2964000    
 N   -2.797700       2.350800       2.077400    
 N    6.064700       1.104400      6.3400000E-02
 C   0.6491000     -0.1799000     -0.5974000    
 C  -0.3334000      0.8497000      -1.081400    
 C   0.2096000      -1.475200     -0.3059000    
 C    1.995100      0.1664000     -0.4417000    
 C   -1.231400       1.385500      8.8999998E-03
 C    1.162700      -2.404100      0.1446000    
 C    2.878300     -0.8268000      1.4200000E-02
 C   -2.526700       1.825300     -0.2588000    
 C   -1.137000      -1.850700     -0.4532000    
 C    2.464500       1.460500     -0.7271000    
 C    4.219700     -0.4880000      0.1714000    
 C   0.7312000      -3.695400      0.4366000    
 C   -1.542700      -3.148000     -0.1545000    
 C  -0.7134000       1.422100       1.288600    
 C   -3.289500       2.309200      0.8247000    
 C    4.689400      0.7969000     -0.1114000    
 C    3.810300       1.773500     -0.5615000    
 C  -0.6063000      -4.071900      0.2914000    
 C   -3.072000       1.796200      -1.553600    
 C   -1.534800       1.912000       2.283500    
 C   -4.584600       2.750900      0.5681000    
 C   -4.370000       2.244200      -1.781500    
 C   -5.126900       2.722200     -0.7190000    
 C   -3.827900      -2.491300     -0.1082000    
 C   -5.101900      -3.125700      0.4077000    
 H  -0.8997000      0.3621000      -1.882500    
 H   0.1057000       1.698400      -1.609200    
 H   -1.871700      -1.154100     -0.8366000    
 H    1.834400       2.277500      -1.056500    
 H    4.898900      -1.262600      0.5254000    
 H    1.445800      -4.437600      0.7877000    
 H   0.2890000       1.117700       1.558700    
 H    4.134700       2.785900     -0.7868000    
 H  -0.9064000      -5.088800      0.5290000    
 H   -2.517400       1.451600      -2.420000    
 H   -1.189300       1.973600       3.310400    
 H   -5.198100       3.130100       1.383400    
 H   -4.787100       2.224500      -2.783700    
 H   -6.140200       3.074700     -0.8878000    
 H   -3.507900      -1.748000      0.6331000    
 H   -4.023700      -1.995200      -1.065300    
 H   -5.881900      -2.373300      0.5553000    
 H   -5.468600      -3.880800     -0.2953000    
 H   -4.920400      -3.637900       1.358400    


%chk=000041875-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041875

0 1
O -2.675964 -4.064063 0.313781
O 6.303881 2.497075 -0.510676
O 6.887715 0.379252 0.108125
N 2.572458 -2.140969 0.251722
N -2.881797 2.779420 2.129850
N 6.013599 1.268367 -0.227595
C 0.482832 -0.287140 -0.529234
C -0.609738 0.652505 -1.010042
C 0.167399 -1.632052 -0.156053
C 1.845144 0.135937 -0.456063
C -1.392713 1.385831 0.082203
C 1.264873 -2.525855 0.218665
C 2.862643 -0.838024 -0.064999
C -2.503825 2.238279 -0.279810
C -1.176403 -2.141905 -0.128725
C 2.278672 1.483204 -0.739515
C 4.239350 -0.446301 -0.000156
C 0.966126 -3.892205 0.575331
C -1.419425 -3.469151 0.237902
C -1.073396 1.272220 1.438602
C -3.220404 2.914364 0.785865
C 4.589411 0.866164 -0.296535
C 3.614673 1.851485 -0.663460
C -0.335813 -4.356290 0.585464
C -2.930954 2.451776 -1.632108
C -1.837921 1.981900 2.418981
C -4.326154 3.764631 0.464853
C -4.013496 3.288672 -1.917639
C -4.717922 3.949968 -0.862854
C -3.863919 -3.237399 -0.006885
C -5.086836 -4.130946 0.170341
H -1.324762 0.080389 -1.632909
H -0.180540 1.405174 -1.697447
H -2.007204 -1.474463 -0.367411
H 1.540122 2.246666 -1.000697
H 4.989432 -1.187259 0.285537
H 1.810992 -4.533931 0.840452
H -0.240966 0.642401 1.766085
H 3.947794 2.871177 -0.870509
H -0.584279 -5.386233 0.857962
H -2.402494 1.960116 -2.455831
H -1.580443 1.888301 3.480863
H -4.839022 4.256371 1.297071
H -4.325831 3.443582 -2.956255
H -5.563513 4.603867 -1.101734
H -3.892771 -2.366464 0.678599
H -3.775070 -2.869527 -1.049398
H -6.005558 -3.560281 -0.055733
H -5.039120 -4.999763 -0.507675
H -5.152861 -4.501176 1.207291


