%chk=000095902.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095902

0 1
 O   -4.288700       1.269800      0.4572000    
 O    6.322900      -1.484900     -0.3226000    
 O    6.782000      0.6400000     -1.7800000E-02
 N   0.5396000      0.9158000      0.2393000    
 N  -0.3858000     -5.6499999E-02  0.1226000    
 N    2.815400       1.621100      0.2679000    
 N    5.955600     -0.2991000     -0.1309000    
 C   -2.740700     -0.5333000      0.1289000    
 C   -4.045700     -5.4600000E-02  0.2460000    
 C   -2.513200      -1.892700     -8.5500002E-02
 C   -5.123000     -0.9354000      0.1487000    
 C   -5.066600       1.950000     -0.5255000    
 C   -3.590600      -2.773400     -0.1827000    
 C   -4.895400      -2.294800     -6.5600000E-02
 C   -1.601800      0.3688000      0.2286000    
 C    1.908000      0.6172000      0.1475000    
 C   -4.652200       3.405600     -0.5615000    
 C    2.268800     -0.7100000     -6.5800004E-02
 C    4.570500     -1.2800000E-02 -4.0100001E-02
 C    3.620700      -1.021300     -0.1599000    
 C    4.120100       1.280400      0.1711000    
 H   -1.509500      -2.298500     -0.1810000    
 H   -6.144900     -0.5794000      0.2468000    
 H   -4.918700       1.508700      -1.519100    
 H   -6.126000       1.871700     -0.2579000    
 H   -3.413700      -3.832000     -0.3491000    
 H   -5.734100      -2.981000     -0.1392000    
 H   -1.816400       1.439800      0.3992000    
 H    1.546600      -1.514200     -0.1625000    
 H   -5.238700       3.961300      -1.298300    
 H   -4.787700       3.869700      0.4210000    
 H   -3.590300       3.497400     -0.8128000    
 H    3.900700      -2.058200     -0.3264000    
 H   0.2814000       1.883400      0.3942000    
 H    4.796800       2.123300      0.2753000    


%chk=000095902-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000095902

0 1
O -4.064083 1.417054 -0.231582
O 6.605376 -1.569940 0.199360
O 7.003750 0.683475 0.150364
N 0.743560 0.848158 -0.055004
N -0.271281 -0.085845 -0.061615
N 2.953483 1.524299 -0.003019
N 6.204116 -0.337170 0.152515
C -2.655483 -0.525568 -0.128429
C -3.980410 0.018395 -0.188880
C -2.505722 -1.939041 -0.082796
C -5.107959 -0.837638 -0.202563
C -5.404274 2.039974 -0.297075
C -3.624721 -2.791791 -0.096010
C -4.925788 -2.236872 -0.156008
C -1.507915 0.379815 -0.115634
C 2.073681 0.466861 -0.001798
C -5.189779 3.550188 -0.330881
C 2.481048 -0.901284 0.049148
C 4.764207 -0.085614 0.099555
C 3.851688 -1.173636 0.100363
C 4.276133 1.243783 0.047166
H -1.489827 -2.343559 -0.037051
H -6.120918 -0.429030 -0.249150
H -5.926560 1.684773 -1.208442
H -5.991647 1.735319 0.592759
H -3.490350 -3.877498 -0.060430
H -5.803263 -2.892689 -0.166860
H -1.729437 1.460578 -0.154175
H 1.726889 -1.689682 0.046715
H -6.165265 4.067376 -0.375449
H -4.657008 3.889930 0.573552
H -4.599882 3.843117 -1.216004
H 4.236661 -2.195912 0.140684
H 0.564170 1.864497 -0.089309
H 4.972211 2.087080 0.046079


