%chk=000012863.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012863

0 1
 O  -0.8352000      -2.568900      0.1636000    
 O    3.382400     -0.8686000     -6.5300003E-02
 O   0.7949000       2.536100     -8.9999998E-04
 N    1.269700      0.2435000      3.5999999E-03
 N    1.387700      -2.008000      1.0200000E-02
 C  -0.1567000     -0.2060000      4.4799998E-02
 C  -0.8637000      0.2014000      -1.269400    
 C  -0.8122000      0.2219000       1.374700    
 C   -2.303500     -0.2729000      -1.461000    
 C   -2.332200      8.8200003E-02   1.481200    
 C   -3.363800      0.6066000     -0.8085000    
 C   -3.069100       1.093700      0.6043000    
 C   5.2499998E-02  -1.730700      7.7399999E-02
 C    2.158700     -0.8720000     -2.4400000E-02
 C    1.609100       1.611000     -2.7600000E-02
 C    3.081500       1.924700     -0.1027000    
 H  -0.2790000     -0.2095000      -2.105400    
 H  -0.8350000       1.288500      -1.404600    
 H  -0.5564000       1.261100       1.611400    
 H  -0.3704000     -0.3650000       2.192800    
 H   -2.429500      -1.306800      -1.129000    
 H   -2.517300     -0.2919000      -2.537900    
 H   -2.599800      0.2987000       2.525000    
 H   -2.663300     -0.9370000       1.285900    
 H   -4.307900      4.6599999E-02 -0.8023000    
 H   -3.545500       1.484100      -1.442200    
 H   -2.507900       2.035400      0.5580000    
 H   -4.027500       1.343300       1.077200    
 H    1.769700      -2.947000      1.1600000E-02
 H    3.511700       1.506800      -1.016400    
 H    3.596300       1.537300      0.7802000    
 H    3.220400       3.010100     -0.1277000    


%chk=000012863-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012863

0 1
O -0.927763 -2.600316 0.157033
O 3.432972 -0.903716 -0.087993
O 0.806547 2.502431 -0.037098
N 1.299711 0.231220 -0.008208
N 1.352591 -2.026529 0.001644
C -0.159448 -0.199661 0.037974
C -0.877848 0.263700 -1.275418
C -0.805357 0.283427 1.376064
C -2.315245 -0.278273 -1.480630
C -2.336841 0.096675 1.505469
C -3.443347 0.560372 -0.824741
C -3.149068 1.071010 0.612431
C -0.018757 -1.741783 0.067896
C 2.182284 -0.883453 -0.038615
C 1.690052 1.601253 -0.042297
C 3.171388 1.922175 -0.079151
H -0.241314 -0.066497 -2.120678
H -0.871030 1.367638 -1.283084
H -0.575056 1.358376 1.478169
H -0.294275 -0.243665 2.206752
H -2.371732 -1.322289 -1.124591
H -2.507474 -0.319280 -2.570710
H -2.585821 0.293847 2.566678
H -2.623087 -0.953558 1.308621
H -4.359070 -0.063540 -0.811270
H -3.674379 1.436294 -1.463576
H -2.597599 2.030992 0.560461
H -4.115443 1.302754 1.101352
H 1.742998 -2.970329 0.008994
H 3.660572 1.483409 -0.965283
H 3.699858 1.504156 0.794526
H 3.269682 3.017862 -0.094121


