%chk=000029800.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029800

0 1
 O   -6.059100      0.8458000     -0.3387000    
 O   -5.525100      -1.226800     -0.8270000    
 N   0.1182000      0.7084000      0.7193000    
 N  -0.4508000      -1.331600      4.5000002E-02
 N    2.911300       4.531400     -0.6083000    
 N   -5.212300     -7.3299997E-02 -0.4466000    
 C   0.9466000       1.803100       1.171900    
 C    1.514800       2.614200      7.7999998E-03
 C   0.5392000     -0.5614000      0.4373000    
 C   -1.233600      0.7610000      0.4943000    
 C    2.394700       3.755700      0.5128000    
 C   -1.564700     -0.5243000      7.4199997E-02
 C    1.952800     -0.9690000      0.5722000    
 C   -2.166600       1.791000      0.6183000    
 C   -2.901200     -0.8173000     -0.2455000    
 C    2.212900      -2.424400      0.2076000    
 C   -3.855000      0.2014000     -0.1282000    
 C   -3.492200       1.481700      0.2963000    
 C    3.757700       3.699900      -1.505200    
 C    3.642400       5.705700     -0.1280000    
 C    2.529300      -2.737700      -1.098100    
 C    2.124600      -3.384500       1.194200    
 C    2.767900      -4.070700      -1.432200    
 C    2.363300      -4.717600      0.8601000    
 C    2.684900      -5.060600     -0.4532000    
 H   0.3380000       2.438800       1.825300    
 H    1.749100       1.398900       1.797500    
 H    2.078000       1.926800     -0.6312000    
 H   0.6940000       3.014000     -0.6018000    
 H    3.211700       3.357900       1.128800    
 H    1.785200       4.400400       1.158900    
 H    2.292600     -0.8097000       1.603800    
 H    2.592600     -0.3347000     -5.4200001E-02
 H   -1.888800       2.786700      0.9445000    
 H   -3.154800      -1.820700     -0.5727000    
 H   -4.225400       2.280300      0.3900000    
 H    3.158500       2.983100      -2.073500    
 H    4.539700       3.170500     -0.9503000    
 H    4.242800       4.335900      -2.254900    
 H    3.973700       6.322500     -0.9706000    
 H    2.995500       6.339700      0.4886000    
 H    4.522000       5.426900      0.4632000    
 H    2.594000      -1.972800      -1.866100    
 H    1.872800      -3.125700       2.218200    
 H    3.017700      -4.338000      -2.454900    
 H    2.298000      -5.488700       1.622200    
 H    2.870400      -6.098600     -0.7134000    


%chk=000029800-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029800

0 1
O -6.288378 1.607950 -0.141910
O -6.319349 -0.641225 0.231536
N -0.206839 0.361037 1.276108
N -1.326101 -1.640273 1.397199
N 2.986312 3.189722 -1.395071
N -5.703844 0.493475 0.160382
C 0.896353 1.339865 1.282332
C 1.400587 1.692299 -0.136366
C -0.135012 -1.029584 1.533852
C -1.535741 0.644390 0.950722
C 2.598703 2.661898 -0.067474
C -2.227553 -0.615699 1.034966
C 1.134071 -1.741517 1.915286
C -2.196135 1.846886 0.613165
C -3.607675 -0.688202 0.775643
C 2.175600 -1.818719 0.794037
C -4.251717 0.521393 0.440116
C -3.574945 1.773264 0.356952
C 3.526349 2.151695 -2.298602
C 3.902467 4.344217 -1.280366
C 3.526608 -1.466662 1.033066
C 1.803263 -2.271048 -0.498240
C 4.490736 -1.562026 0.002612
C 2.763921 -2.366655 -1.528885
C 4.111681 -2.011243 -1.282810
H 0.546888 2.252220 1.803496
H 1.723655 0.919317 1.879959
H 1.682427 0.755854 -0.649305
H 0.594752 2.167974 -0.725594
H 3.457980 2.146622 0.442800
H 2.323513 3.530549 0.564699
H 0.822143 -2.759731 2.209673
H 1.586434 -1.274094 2.811333
H -1.669229 2.803464 0.546933
H -4.165054 -1.625628 0.830421
H -4.153201 2.660915 0.089659
H 2.771937 1.369864 -2.486627
H 4.444398 1.654042 -1.892494
H 3.783255 2.611192 -3.269298
H 4.097622 4.762345 -2.283854
H 3.432774 5.134388 -0.667484
H 4.889496 4.086634 -0.817335
H 3.829969 -1.125586 2.031401
H 0.760282 -2.551336 -0.689618
H 5.533227 -1.290975 0.204112
H 2.463784 -2.721801 -2.521138
H 4.856886 -2.087868 -2.082289


