%chk=000020067.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020067

0 1
 O  -0.6346000      -1.144200       1.575700    
 O    1.413300       2.211300     -0.1545000    
 O   -3.573500       1.922100     -0.9276000    
 O    2.475200      -2.362900      -2.116100    
 O    4.130100      0.3123000       2.211400    
 O    1.655700       4.461000      0.2699000    
 N   -2.202900      9.4899997E-02 -0.5157000    
 N   0.6016000     -0.8871000     -0.4536000    
 N    6.049500     -0.9509000      0.7726000    
 N    1.568800       3.661000      -1.884000    
 C   -1.043500      0.6935000      9.0400003E-02
 C   -1.097200      0.4295000      -1.355400    
 C  -1.1100000E-02 -0.1973000      0.7094000    
 C  -9.7800002E-02 -0.6309000      -1.709900    
 C    1.222800      0.4378000       1.434800    
 C    1.961700     -0.9922000     -0.2759000    
 C    2.373800     -0.3082000      0.7894000    
 C   -3.419700      0.7511000     -0.5928000    
 C    1.384900       1.943200       1.235100    
 C    2.877100      -1.739400      -1.140000    
 C    3.777500     -0.2900000       1.202100    
 C   -1.081800     -0.5307000       2.774800    
 C   -4.598400     -8.4600002E-02 -0.2275000    
 C    4.327900      -1.706300     -0.7550000    
 C    4.755200      -1.035500      0.3375000    
 C   -4.416000      -1.412200      0.1518000    
 C   -5.876900      0.4658000     -0.2672000    
 C    5.224500      -2.480400      -1.684500    
 C    1.554800       3.526300     -0.5177000    
 C   -5.519300      -2.194400      0.4933000    
 C   -6.980300     -0.3162000      7.4500002E-02
 C   -6.801500      -1.646300      0.4547000    
 H   -1.205600       1.670400      0.5119000    
 H   -1.236400       1.223300      -2.071000    
 H  -0.5870000      -1.540200      -2.072700    
 H   0.5868000     -0.2575000      -2.479000    
 H    1.254200      0.2250000       2.506300    
 H    2.317700       2.292800       1.693700    
 H   0.5536000       2.478900       1.707700    
 H   -1.375300      0.5169000       2.657400    
 H  -0.3264000     -0.6298000       3.559300    
 H   -1.961900      -1.084400       3.116900    
 H   -3.436700      -1.879700      0.1962000    
 H   -6.040300       1.499200     -0.5604000    
 H    6.279800      -2.445900      -1.404200    
 H    5.148400      -2.081500      -2.701900    
 H    4.929300      -3.535100      -1.703200    
 H    6.798500      -1.412000      0.2746000    
 H    6.262400     -0.4193000       1.607900    
 H   -5.380600      -3.230100      0.7896000    
 H   -7.978700      0.1102000      4.4500001E-02
 H   -7.660500      -2.255300      0.7207000    
 H    1.480200       2.855500      -2.494400    
 H    1.666400       4.569400      -2.324900    


%chk=000020067-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000020067

0 1
O -0.583288 -1.655438 1.065483
O 1.493472 2.285716 0.090212
O -3.621558 0.881921 -2.450862
O 2.906337 -2.018285 -2.511995
O 4.047300 0.183147 2.433892
O -0.459665 3.618899 0.166367
N -2.113892 -0.285662 -1.073217
N 0.800782 -1.019420 -0.744284
N 6.030349 -0.949881 1.053469
N 1.116860 3.793936 -1.563184
C -1.032143 0.430036 -0.283438
C -0.918489 0.215365 -1.796586
C 0.011866 -0.476519 0.406248
C 0.140648 -0.864288 -2.065383
C 1.108249 0.169866 1.345908
C 2.138719 -1.029410 -0.443657
C 2.387985 -0.443922 0.794317
C -3.396733 0.280545 -1.359543
C 1.179799 1.707561 1.422632
C 3.215100 -1.574949 -1.345251
C 3.709070 -0.378235 1.322859
C -1.394285 -1.336241 2.247875
C -4.457248 0.018121 -0.341017
C 4.568139 -1.555942 -0.811230
C 4.801135 -1.010839 0.456375
C -4.392041 -1.105910 0.523265
C -5.579459 0.885735 -0.287225
C 5.691713 -2.126542 -1.650127
C 0.617286 3.279516 -0.390601
C -5.436234 -1.349365 1.441564
C -6.612714 0.647361 0.641423
C -6.542504 -0.469827 1.509014
H -1.274477 1.416648 0.124163
H -1.069745 1.037277 -2.502816
H -0.327043 -1.808996 -2.389471
H 0.884811 -0.565378 -2.819158
H 0.928329 -0.168113 2.382985
H 2.016112 1.987574 2.084833
H 0.238501 2.154083 1.790814
H -2.174071 -0.583675 2.025610
H -0.777018 -0.984806 3.099114
H -1.874555 -2.285860 2.530437
H -3.546550 -1.795093 0.432412
H -5.623598 1.732345 -0.980231
H 6.479125 -1.374748 -1.860458
H 5.285636 -2.469760 -2.615226
H 6.176075 -2.994981 -1.159835
H 6.870607 -1.316257 0.614273
H 6.064267 -0.492119 1.971078
H -5.394977 -2.228289 2.094392
H -7.473222 1.323581 0.687734
H -7.350960 -0.659353 2.224128
H 2.016132 3.480445 -1.921517
H 0.589866 4.519327 -2.041564


