%chk=000045599.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045599

0 1
 O    4.989200      0.4758000      -2.001300    
 O   -4.554300       3.353700     -0.1394000    
 N   0.7519000      -1.336700      1.7800000E-02
 N    3.425800     -0.3486000      0.2002000    
 N   -5.010700      -2.110900     -0.2628000    
 C    1.045200     -0.1249000      0.7925000    
 C    1.655200      -1.422300      -1.136600    
 C  -0.6431000      -1.339800     -0.4214000    
 C    2.487300     -0.1357000       1.306100    
 C    3.117000      -1.477300     -0.6868000    
 C   -1.594200      -1.345400      0.7759000    
 C   -3.036600      -1.371400      0.3368000    
 C   -3.839700     -0.2448000      8.8799998E-02
 C    4.766300      2.5599999E-02  0.3457000    
 C   -3.756400      -2.503500      0.1206000    
 C   -5.090300     -0.7367000     -0.2909000    
 C   -3.647700       1.150000      0.1435000    
 C    5.543500      0.4369000     -0.7569000    
 C   -3.407800      -3.933200      0.2294000    
 C   -6.162800      9.9799998E-02 -0.6201000    
 C    5.381300      1.2000001E-03   1.614000    
 C   -4.711400       1.999000     -0.1831000    
 C   -5.948800       1.479800     -0.5588000    
 C   -2.337300       1.757500      0.5415000    
 C    6.878600      0.8080000     -0.5972000    
 C    6.716500      0.3722000       1.773500    
 C    7.465200      0.7756000      0.6680000    
 C    4.368100       1.697400      -2.395600    
 C   -4.850000       3.998700       1.096600    
 H   0.4253000     -3.8600001E-02   1.687800    
 H   0.8814000      0.7749000      0.1848000    
 H    1.510600     -0.5653000      -1.808400    
 H    1.441100      -2.330100      -1.713600    
 H  -0.8524000     -0.4939000      -1.087800    
 H  -0.8287000      -2.246200      -1.013100    
 H    2.606300     -0.9298000       2.054500    
 H    2.680800      0.8262000       1.797300    
 H    3.748900      -1.507700      -1.579200    
 H    3.302100      -2.413600     -0.1435000    
 H   -1.466100     -0.5044000       1.456100    
 H   -1.394000      -2.236300       1.387500    
 H   -5.771800      -2.735100     -0.4930000    
 H   -2.506700      -4.156400     -0.3507000    
 H   -3.217800      -4.201200       1.273700    
 H   -4.210100      -4.579100     -0.1423000    
 H   -7.126300     -0.3036000     -0.9129000    
 H    4.836000     -0.3199000       2.497900    
 H   -6.766500       2.151300     -0.8110000    
 H   -2.159700       1.607800       1.610700    
 H   -1.518900       1.330800     -3.8699999E-02
 H   -2.287000       2.834500      0.3540000    
 H    7.468400       1.122500      -1.454000    
 H    7.174500      0.3441000       2.757800    
 H    8.505000       1.063600      0.7920000    
 H    3.546300       1.950700      -1.718300    
 H    3.962000       1.565200      -3.402100    
 H    5.100900       2.510100      -2.417600    
 H   -4.603400       5.059200      0.9971000    
 H   -4.255700       3.577100       1.913400    
 H   -5.916500       3.908300       1.326100    


%chk=000045599-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045599

0 1
O 5.437863 -0.004598 -2.188582
O -4.908243 3.334863 0.818684
N 0.856208 -1.045287 0.005950
N 3.636243 -0.211339 0.098213
N -4.986982 -2.117164 -0.355895
C 1.283052 0.143208 0.781784
C 1.748158 -1.220982 -1.167528
C -0.577844 -1.007054 -0.374167
C 2.741144 0.005030 1.254222
C 3.208722 -1.380741 -0.720941
C -1.529020 -1.297194 0.818008
C -2.986537 -1.317640 0.409702
C -3.937760 -0.206776 0.351460
C 5.033075 -0.007368 0.278160
C -3.665101 -2.463317 -0.031283
C -5.183732 -0.749753 -0.131892
C -3.855584 1.184066 0.668071
C 5.916056 0.089254 -0.850700
C -3.190824 -3.881548 -0.181486
C -6.337407 0.033721 -0.310589
C 5.617112 0.140845 1.569893
C -5.031503 1.960486 0.484261
C -6.252736 1.404044 0.002758
C -2.591015 1.840738 1.190489
C 7.303505 0.252427 -0.678292
C 7.005319 0.336654 1.736157
C 7.862470 0.374309 0.614486
C 4.621511 1.152781 -2.617067
C -6.075152 4.188799 0.624211
H 0.635374 0.253185 1.669759
H 1.189071 1.078606 0.169905
H 1.675752 -0.352473 -1.872740
H 1.437769 -2.129900 -1.715698
H -0.858014 -0.029510 -0.844038
H -0.744419 -1.784156 -1.144618
H 2.803497 -0.837600 1.982846
H 3.037636 0.935188 1.771435
H 3.868879 -1.460066 -1.599052
H 3.299938 -2.313171 -0.118575
H -1.371246 -0.549392 1.613797
H -1.228974 -2.271615 1.247103
H -5.694949 -2.767450 -0.689079
H -2.162445 -3.987850 0.199767
H -3.830107 -4.590371 0.380349
H -3.186955 -4.207112 -1.240448
H -7.275483 -0.395909 -0.678781
H 4.983257 0.070300 2.459009
H -7.137088 2.034282 -0.125113
H -2.373807 1.525336 2.229662
H -1.714183 1.576504 0.572003
H -2.699972 2.935536 1.191888
H 7.925722 0.302054 -1.578225
H 7.416008 0.439602 2.747018
H 8.942125 0.508028 0.738671
H 3.737628 1.273245 -1.963602
H 4.311419 0.930272 -3.650006
H 5.232041 2.075928 -2.597629
H -5.749502 5.194968 0.929693
H -6.926362 3.868423 1.257880
H -6.395607 4.209753 -0.436765


