%chk=000056416.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056416

0 1
 O   -1.923100      -1.901400      0.4664000    
 O   -1.796100       2.495300      0.5180000    
 O   0.7297000      -2.291600      0.8641000    
 N  -0.2395000     -0.4101000     -0.1596000    
 N   -3.303900      -2.045100      0.4044000    
 N    5.973500       1.038500     -0.4415000    
 C   -2.686200     -8.6700000E-02 -0.5802000    
 C   -2.765500       1.205400      -1.281200    
 C   -1.598200     -0.7388000     -0.1223000    
 C   -3.737600     -0.9493000     -0.2248000    
 C   -2.924900       2.413100     -0.3428000    
 C   -5.179100     -0.7703000     -0.4668000    
 C   0.8282000      -1.179400      0.3212000    
 C    2.151800     -0.6090000      0.1264000    
 C    3.263500      -1.445200      2.4700001E-02
 C    2.309300      0.7744000      3.9900001E-02
 C    4.690300      0.4851000     -0.2498000    
 C    4.532800     -0.8981000     -0.1632000    
 C    3.578600       1.321300     -0.1482000    
 C   -1.903800       3.591700       1.415400    
 H   -1.857700       1.345300      -1.882100    
 H   -3.603700       1.196500      -1.988300    
 H   -2.997700       3.328900     -0.9407000    
 H   -3.837500       2.307600      0.2560000    
 H  -4.9800001E-02  0.4646000     -0.6395000    
 H   -5.523300      0.1861000     -5.9999999E-02
 H   -5.391700     -0.7822000      -1.540800    
 H   -5.773000      -1.562800      6.9999998E-04
 H    3.163300      -2.525900      8.3700001E-02
 H    1.481100       1.467700      0.1520000    
 H    5.391400      -1.560200     -0.2424000    
 H    3.690000       2.401200     -0.2059000    
 H   -1.011200       3.608200       2.046500    
 H   -2.782900       3.477300       2.056900    
 H   -1.959000       4.535200      0.8638000    
 H    6.088300       2.041500     -0.5022000    
 H    6.780300      0.4330000     -0.5130000    


%chk=000056416-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056416

0 1
O -2.191028 -2.208404 0.267592
O -1.093590 2.237343 0.067274
O 0.633727 -2.520699 0.196531
N -0.513021 -0.484995 -0.061173
N -3.665825 -2.323146 0.118124
N 5.717685 1.473704 -0.095369
C -2.955967 -0.190725 -0.512050
C -3.007535 1.213691 -1.066847
C -1.827582 -0.923754 -0.126567
C -4.054195 -1.105582 -0.337407
C -2.560097 2.325726 -0.100693
C -5.514068 -0.868541 -0.616074
C 0.658655 -1.263776 0.053210
C 1.937779 -0.483765 0.006091
C 3.117354 -1.141869 0.449009
C 2.058709 0.844013 -0.489731
C 4.481923 0.833658 -0.063756
C 4.364593 -0.503156 0.424567
C 3.304978 1.493939 -0.527262
C -0.574208 3.190741 1.053496
H -2.391290 1.299313 -1.984866
H -4.046931 1.439756 -1.370210
H -2.806467 3.325662 -0.517620
H -3.051219 2.213820 0.888649
H -0.454592 0.552604 -0.052702
H -5.908936 -0.032961 -0.009264
H -5.682949 -0.623646 -1.680992
H -6.092822 -1.775088 -0.375480
H 3.021491 -2.172897 0.805541
H 1.187127 1.376077 -0.889721
H 5.258710 -1.031698 0.777037
H 3.379174 2.510703 -0.932650
H 0.511456 3.016540 1.113798
H -1.032343 3.023024 2.048980
H -0.769299 4.232804 0.729842
H 5.808481 2.417967 -0.458872
H 6.558822 0.995416 0.214361


