%chk=000022829.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022829

0 1
 O    4.306800      0.6994000       2.126600    
 O   -1.386400       1.499400     -0.8197000    
 O    1.573600      -1.079100      -1.782200    
 O  -0.1555000      -4.087400     -0.7092000    
 O   -7.108500      0.4587000      0.3190000    
 O   -6.313000       2.059000     -0.9559000    
 N    2.587300     -0.4914000      0.2526000    
 N  -0.5969000      -1.559000     -8.9999998E-04
 N  -0.9292000     -0.7079000      0.8495000    
 N   -6.144800       1.067800     -0.2051000    
 C   0.7586000      -2.060400      0.2410000    
 C    3.588800      0.4262000     -0.1463000    
 C    1.677100      -1.156200     -0.5606000    
 C    4.422400      0.9972000      0.8015000    
 C   0.8054000      -3.512700     -0.1983000    
 C   -2.231500     -0.2553000      0.5786000    
 C    3.711500      0.7325000      -1.492200    
 C   -2.437500      0.8426000     -0.2525000    
 C    5.405000       1.898800      0.3928000    
 C   -3.314100     -0.9168000       1.152000    
 C   -4.822900      0.6220000      6.0300000E-02
 C    4.694100       1.634000      -1.901100    
 C   -3.735700       1.282000     -0.5121000    
 C    5.540900       2.217200     -0.9584000    
 C    2.112900      -4.234900      1.0800000E-02
 C   -4.612300     -0.4774000      0.8925000    
 C    3.431200       1.517000       2.899900    
 C  -0.8273000       2.584500     -8.2699999E-02
 H   0.9943000      -2.046600       1.312800    
 H    2.552100     -0.6731000       1.252900    
 H    3.099000      0.3301000      -2.284500    
 H    6.069000       2.356600       1.121100    
 H   -3.159200      -1.773700       1.802400    
 H   -3.869900       2.141000      -1.165600    
 H    4.800900       1.883500      -2.952800    
 H    6.306100       2.919300      -1.276700    
 H   -5.435100      -1.016000       1.355800    
 H    2.879700      -3.809700     -0.6411000    
 H    2.416700      -4.149400       1.057100    
 H    1.990000      -5.294500     -0.2304000    
 H    3.410800       1.126600       3.921000    
 H    3.797500       2.548100       2.927100    
 H    2.414200       1.491600       2.495700    
 H   -1.573400       3.371100      6.7699999E-02
 H  -0.4444000       2.239500      0.8830000    
 H   4.9000001E-03   2.997000     -0.6597000    


%chk=000022829-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022829

0 1
O 2.144503 1.669396 -1.486825
O -3.889796 -0.963993 1.705561
O 3.615347 -2.062548 1.420900
O -0.315972 -3.274304 0.433040
O -4.019291 4.686557 -0.185936
O -5.782173 3.375142 0.427122
N 2.653630 -0.371993 0.085804
N 0.280475 -0.592541 1.067752
N -0.922314 -0.678378 1.547692
N -4.521212 3.577468 0.246615
C 1.182345 -1.659370 1.551449
C 3.767476 0.161839 -0.603968
C 2.621798 -1.386202 1.010886
C 3.495581 1.269337 -1.467826
C 0.690333 -3.106664 1.159891
C -1.807908 0.368444 1.145026
C 5.091700 -0.322525 -0.492845
C -3.223126 0.176061 1.308712
C 4.529524 1.871893 -2.210516
C -1.325543 1.623981 0.661264
C -3.580218 2.466983 0.549949
C 6.126908 0.287297 -1.238124
C -4.103004 1.252215 1.007217
C 5.850475 1.375390 -2.092673
C 1.485688 -4.243953 1.763198
C -2.189222 2.679914 0.365431
C 1.762233 2.747841 -2.401765
C -3.224525 -2.262689 1.954096
H 1.248822 -1.662233 2.659539
H 1.736392 0.075946 -0.087032
H 5.290235 -1.163532 0.174580
H 4.322792 2.718234 -2.872042
H -0.242478 1.740313 0.554631
H -5.179556 1.115192 1.130142
H 7.149235 -0.093564 -1.147123
H 6.654951 1.844230 -2.669058
H -1.832345 3.651612 0.017834
H 2.568127 -4.029668 1.716131
H 1.227481 -4.334596 2.837199
H 1.236885 -5.189047 1.256505
H 0.674368 2.858090 -2.281149
H 2.268424 3.694925 -2.134286
H 1.995770 2.480451 -3.449690
H -2.545948 -2.529368 1.126416
H -2.652013 -2.227122 2.894100
H -4.061652 -2.973261 2.027876


