%chk=000132561.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132561

0 1
 O    4.671200      0.1151000      -1.686800    
 O    4.368700       1.909300      0.4900000    
 O   0.2549000       2.344600     -0.4834000    
 N   -3.269800     -0.6184000      8.8799998E-02
 N   -1.103600      -1.375700      6.1099999E-02
 N    2.068400      0.3894000     -0.3391000    
 N    1.140000      -2.233000      4.1400000E-02
 N   -1.550400      0.9490000     -0.2052000    
 N   -8.106900      6.5600000E-02  0.2752000    
 C    4.368100     -0.3816000     -0.3720000    
 C    4.956000      0.6204000      0.6557000    
 C    2.909700     -0.6576000     -0.2552000    
 C   -4.308100      0.3616000      2.4400000E-02
 C   -5.682700     -0.2871000      0.1728000    
 C   0.2790000      -1.196100     -3.9799999E-02
 C   0.7584000      9.0000004E-02 -0.2280000    
 C   -1.943000     -0.2870000     -2.7799999E-02
 C    4.754000      0.1857000       2.100500    
 C    2.454200      -1.944200     -6.8499997E-02
 C   -6.820600      0.7336000      0.1111000    
 C  -0.1975000       1.216300     -0.3151000    
 H    4.922600      -1.323300     -0.2707000    
 H    6.029400      0.7410000      0.4661000    
 H   -4.171400       1.102900      0.8209000    
 H   -4.262400      0.8922000     -0.9342000    
 H   -5.725600     -0.8296000       1.126700    
 H   -5.815800      -1.037900     -0.6175000    
 H   -3.528700      -1.590900      0.2270000    
 H    3.693100      0.1723000       2.372100    
 H    5.179200     -0.8062000       2.280300    
 H    5.235700      0.8980000       2.779400    
 H   -1.451900      -2.316000      0.1987000    
 H    3.120800      -2.795900      1.1000000E-03
 H   -6.803400       1.261100     -0.8489000    
 H   -6.700500       1.478600      0.9047000    
 H    5.637200      0.2077000      -1.749200    
 H    4.487700       2.165200     -0.4406000    
 H   -8.240600     -0.6109000     -0.4753000    
 H   -8.856800      0.7492000      0.1805000    


%chk=000132561-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000132561

0 1
O 4.315157 -0.604950 -2.016940
O 3.921838 1.854290 -0.821881
O -0.127864 2.115674 0.153417
N -3.322362 -1.178035 1.128422
N -1.080115 -1.838748 0.806464
N 1.905871 0.103774 -0.062871
N 1.138579 -2.578621 0.480537
N -1.738867 0.478421 0.618113
N -7.006985 1.006433 -1.437910
C 4.241089 -0.561117 -0.543834
C 4.700760 0.848169 -0.071634
C 2.822945 -0.912047 -0.112873
C -4.433275 -0.205160 1.160414
C -5.167229 -0.087006 -0.193589
C 0.247754 -1.546103 0.505951
C 0.616892 -0.190254 0.246618
C -2.032875 -0.801911 0.837953
C 4.644330 1.070757 1.447479
C 2.421526 -2.247512 0.171430
C -6.329859 0.925817 -0.128414
C -0.423564 0.903143 0.332297
H 4.942674 -1.337010 -0.189421
H 5.735032 0.985877 -0.435394
H -5.136562 -0.514889 1.957228
H -3.996115 0.768819 1.437082
H -5.574571 -1.065967 -0.511432
H -4.435938 0.235951 -0.960115
H -3.552531 -2.170311 1.196389
H 3.612690 0.990425 1.832446
H 5.278254 0.337019 1.981308
H 5.016440 2.082660 1.681131
H -1.306712 -2.817755 1.005700
H 3.146053 -3.067163 0.144057
H -5.931751 1.903327 0.239857
H -7.072547 0.580431 0.617714
H 4.047164 0.315015 -2.308321
H 2.961111 1.726496 -0.551232
H -6.398348 1.340097 -2.192916
H -7.899490 1.509364 -1.422032


