%chk=000129696.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129696

0 1
 O    3.063600      -1.255100       1.097800    
 O   -2.541100      -2.366200      -1.194400    
 N  -0.3741000      0.9600000     -1.3900000E-02
 N  -0.6655000      -2.034400      0.1223000    
 N    1.696200       1.762700     -0.3064000    
 C    4.340700      0.5754000      0.2607000    
 C    4.569400       1.006200      -1.126000    
 C    5.307900     -0.1701000     -0.5580000    
 C    3.003400     -0.1178000      0.5614000    
 C    1.757800      0.5128000      0.2415000    
 C   0.4976000      1.8000000E-03  0.4580000    
 C   4.1000001E-02  -1.240500       1.111900    
 C   -1.789200      0.8893000      2.7999999E-03
 C   0.4116000       2.015100     -0.4242000    
 C   -2.489000     -0.3337000     -6.1299998E-02
 C   -1.897500      -1.660100     -0.4151000    
 C   -2.507200       2.093700      0.1124000    
 C  -4.2100001E-02  -3.290500     -0.2755000    
 C   -3.893400     -0.3169000      3.1599998E-02
 C   -3.899200       2.086200      0.2019000    
 C   -4.591100      0.8821000      0.1724000    
 H    4.728500       1.187800       1.066000    
 H    5.128100       1.920100      -1.288600    
 H    3.832500      0.7982000      -1.892100    
 H    5.045500      -1.152900     -0.9301000    
 H    6.362100     -4.4900000E-02 -0.3421000    
 H   0.8436000      -1.833500       1.553900    
 H  -0.6543000      -1.003600       1.926600    
 H   4.3000001E-03   2.930800     -0.8316000    
 H   -2.006800       3.056700      0.1730000    
 H   2.6000001E-02  -3.941000      0.6013000    
 H   0.9614000      -3.080800     -0.6574000    
 H  -0.6179000      -3.800000      -1.052100    
 H   -4.467600      -1.239800     -2.0300001E-02
 H   -4.441100       3.022000      0.3039000    
 H   -5.674900      0.8749000      0.2423000    


%chk=000129696-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129696

0 1
O 3.121298 -1.253221 0.507596
O -2.787927 -2.289599 -1.328533
N -0.484502 1.035210 -0.060075
N -0.797447 -2.012559 -0.150867
N 1.538421 1.884744 -0.643940
C 4.221034 0.701900 -0.409314
C 5.408613 -0.098153 -1.010910
C 5.541713 0.485674 0.380612
C 3.026089 -0.069242 0.031813
C 1.707915 0.587072 -0.101689
C 0.459477 0.053158 0.261871
C 0.014232 -1.256473 0.835347
C -1.897192 0.939222 0.178271
C 0.223272 2.124127 -0.605460
C -2.607989 -0.286025 0.001919
C -2.059125 -1.594472 -0.547512
C -2.578635 2.115018 0.583032
C -0.214726 -3.240374 -0.725367
C -4.010689 -0.276175 0.227776
C -3.967297 2.092746 0.809792
C -4.688520 0.888300 0.634313
H 4.014564 1.697311 -0.807116
H 5.944229 0.369968 -1.841029
H 5.257099 -1.178574 -1.085595
H 5.477391 -0.209855 1.222047
H 6.170779 1.366514 0.534289
H 0.913338 -1.841175 1.080547
H -0.572470 -1.100455 1.762170
H -0.272199 3.014532 -0.983061
H -2.009882 3.037184 0.740298
H -0.095942 -4.017248 0.052723
H 0.775550 -3.022161 -1.163620
H -0.897640 -3.612807 -1.503663
H -4.554187 -1.207390 0.041857
H -4.480384 3.006387 1.127390
H -5.769060 0.860892 0.806688


