%chk=000017940.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017940

0 1
 O  -0.8987000       1.090800      0.2842000    
 O   0.7276000       2.153800     -0.9505000    
 N   -3.569400      0.2306000      1.6400000E-02
 C   -3.252800       1.623200      0.3288000    
 C   -1.880700       1.970200     -0.2501000    
 C   -4.814700     -0.1703000      0.6705000    
 C   -3.668300      4.0600002E-02  -1.430400    
 C   -4.346900       2.544300     -0.2116000    
 C    1.333500      0.3188000      0.5469000    
 C   -4.730400      2.0199999E-02   2.175400    
 C   -3.935900      -1.414400      -1.776100    
 C   0.3870000       1.289700     -0.1524000    
 C    2.800700      0.5976000      0.2457000    
 C   0.9772000      -1.147000      0.3377000    
 C    3.386300     -2.0500001E-02 -0.8393000    
 C    1.289800      -2.056000       1.326900    
 C    3.496800       1.459400       1.067300    
 C   0.3525000      -1.519900     -0.8344000    
 C    4.729600      0.2347000      -1.115300    
 C   0.9633000      -3.398600       1.135600    
 C    4.840100       1.714600      0.7911000    
 C   2.5900001E-02  -2.862400      -1.025700    
 C    5.456400       1.102300     -0.3002000    
 C   0.3313000      -3.801800     -4.0600002E-02
 H   -3.152600       1.764200       1.410300    
 H   -1.626500       2.989800      7.0200004E-02
 H   -1.848500       1.977200      -1.344700    
 H   -5.715000      0.3045000      0.2660000    
 H   -4.959600      -1.248600      0.5368000    
 H   -4.462300      0.6287000      -1.901600    
 H   -2.728700      0.2810000      -1.934400    
 H   -5.344800       2.338000      0.1822000    
 H   -4.391900       2.588000      -1.303700    
 H   -4.119900       3.570700      0.1058000    
 H    1.180900      0.5260000       1.618400    
 H   -3.790300     -0.3657000       2.585000    
 H   -4.849600       1.066000       2.474800    
 H   -5.543200     -0.5337000       2.659200    
 H   -3.254100      -2.089000      -1.246700    
 H   -4.967100      -1.713300      -1.563900    
 H   -3.780200      -1.572200      -2.849500    
 H    2.849400     -0.6813000      -1.509700    
 H    1.782400      -1.750900       2.245200    
 H    3.025200       1.943100       1.917300    
 H   0.1163000     -0.8134000      -1.623700    
 H    5.208500     -0.2375000      -1.968200    
 H    1.201300      -4.129900       1.902400    
 H    5.405900       2.391000       1.425200    
 H  -0.4641000      -3.176900      -1.942600    
 H    6.501800       1.302300     -0.5161000    
 H   7.7399999E-02  -4.847200     -0.1899000    


%chk=000017940-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017940

0 1
O -0.831205 1.794922 0.561432
O -0.215299 0.858331 -1.489519
N -3.446070 0.558347 -0.261067
C -3.290288 1.912522 0.331259
C -1.944462 2.549443 -0.073571
C -4.249465 -0.367269 0.580170
C -3.805025 0.536522 -1.703981
C -4.454327 2.905067 0.035639
C 0.932576 0.175827 0.612562
C -3.461083 -0.930602 1.780107
C -3.314045 -0.734974 -2.422925
C -0.084472 0.939414 -0.246787
C 2.365421 0.549454 0.186798
C 0.684528 -1.342945 0.598402
C 2.894332 0.153685 -1.067361
C 0.939551 -2.074180 1.786730
C 3.174930 1.312012 1.064577
C 0.247681 -2.043920 -0.553683
C 4.210084 0.513259 -1.431403
C 0.769194 -3.475493 1.826025
C 4.493938 1.669747 0.702308
C 0.073464 -3.445802 -0.514043
C 5.016011 1.270208 -0.548492
C 0.334650 -4.168414 0.672326
H -3.244380 1.767965 1.427421
H -1.861839 3.573159 0.329418
H -1.793631 2.557904 -1.167544
H -5.192969 0.114842 0.941455
H -4.563453 -1.212278 -0.058290
H -4.906360 0.655751 -1.860600
H -3.323378 1.405455 -2.189028
H -5.426161 2.439175 0.279824
H -4.479593 3.205816 -1.027695
H -4.355467 3.821530 0.646422
H 0.787265 0.531813 1.646445
H -2.565159 -1.469312 1.426114
H -3.124313 -0.131215 2.465374
H -4.091448 -1.628817 2.363117
H -2.216529 -0.803661 -2.344882
H -3.752820 -1.652879 -1.990783
H -3.594075 -0.701050 -3.492860
H 2.277264 -0.428786 -1.758564
H 1.278829 -1.542902 2.684724
H 2.770779 1.629108 2.034183
H 0.029755 -1.489636 -1.472254
H 4.608091 0.202743 -2.404186
H 0.972182 -4.023592 2.753119
H 5.109149 2.257632 1.392946
H -0.268918 -3.973027 -1.411907
H 6.037903 1.545458 -0.832940
H 0.199557 -5.255557 0.699468


