%chk=000132676.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132676

0 1
 I   -2.673400     -0.4865000       3.000500    
 O    5.016900     -9.2600003E-02   1.229600    
 O    2.681500       1.356400      0.8083000    
 N    2.014300      -2.076400      0.3815000    
 N  -0.3505000       3.414600      -2.057000    
 N   -3.985200      0.3184000      8.6900003E-02
 N   -5.097100     -0.2320000      0.2330000    
 N   -6.117000     -0.7266000      0.3668000    
 C    1.654400      -2.822200     -0.8372000    
 C   0.2368000      -3.416700     -0.6276000    
 C    3.321200      -1.464800      0.2306000    
 C    2.719400      -3.910000      -1.034100    
 C    1.703200      -1.829400      -2.006500    
 C    3.741700     -0.6900000       1.481600    
 C  -0.8835000      -2.422700     -0.4244000    
 C    2.757500      0.4109000       1.870700    
 C   -1.197400      -2.007000      0.8588000    
 C   -1.575200      -1.948800      -1.526700    
 C   -2.232700      -1.090800       1.045200    
 C   -2.610600      -1.032800      -1.340300    
 C    1.485000       2.001400      0.6432000    
 C    1.056500       2.441500     -0.6251000    
 C   -2.939300     -0.6037000     -5.4400001E-02
 C  -0.1736000       3.094300     -0.7299000    
 C   0.6688000       2.230800       1.756900    
 C    1.610100       2.381300      -1.934500    
 C  -0.9999000       3.330300      0.3746000    
 C  -0.5541000       2.885400       1.622400    
 C   0.7220000       2.987700      -2.792900    
 H  -1.5100000E-02  -4.049000      -1.491100    
 H   0.2495000      -4.112900      0.2238000    
 H    2.015000      -2.701500       1.187300    
 H    4.119400      -2.194700      6.1600000E-02
 H    3.371100     -0.7522000     -0.5987000    
 H    2.369600      -4.632700      -1.782100    
 H    3.676900      -3.538600      -1.413100    
 H    2.900800      -4.478400     -0.1140000    
 H    1.196400      -2.259900      -2.879200    
 H    2.718600      -1.603700      -2.351000    
 H    1.200000     -0.8826000      -1.778400    
 H    3.863000      -1.384900       2.321300    
 H    1.788300     -4.8599999E-02   2.100600    
 H    3.127200      0.9340000       2.760600    
 H  -0.6423000      -2.396900       1.708300    
 H   -1.331200      -2.278300      -2.532300    
 H    5.289700      0.3680000       2.041400    
 H   -3.153000     -0.6594000      -2.205300    
 H   0.9680000       1.942000       2.760700    
 H    2.555600       1.940400      -2.219900    
 H   -1.951700       3.840300      0.2711000    
 H   -1.156400       3.894900      -2.432900    
 H   -1.168700       3.061300       2.501600    
 H   0.7577000       3.152200      -3.860500    


%chk=000132676-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000132676

0 1
I -2.060086 -0.762778 3.510895
O 4.514864 0.246599 1.461818
O 2.158758 1.229578 0.409954
N 2.188007 -2.531301 0.415072
N 0.658053 4.746267 -2.265121
N -4.158415 -0.542097 0.700377
N -4.193762 0.549770 1.338878
N -4.476757 1.589530 1.836007
C 1.667320 -3.247201 -0.793459
C 0.375295 -4.024602 -0.339038
C 3.275912 -1.537417 0.262884
C 2.691586 -4.292286 -1.330563
C 1.320912 -2.235827 -1.911542
C 3.300882 -0.580564 1.483030
C -0.819644 -3.149104 -0.009011
C 2.046442 0.299034 1.552787
C -0.907690 -2.474024 1.235505
C -1.874392 -2.963468 -0.938682
C -1.987516 -1.615964 1.531326
C -2.943357 -2.095162 -0.659513
C 1.112915 2.147857 0.204258
C 1.280034 3.042380 -0.889737
C -3.008318 -1.380262 0.566602
C 0.243574 4.001855 -1.153361
C -0.053392 2.222552 0.992139
C 2.320081 3.236673 -1.875600
C -0.936141 4.091763 -0.375050
C -1.061973 3.187681 0.695083
C 1.910251 4.284278 -2.698932
H 0.105873 -4.725689 -1.151530
H 0.651915 -4.645229 0.537879
H 2.422938 -3.216946 1.149649
H 4.291297 -1.982133 0.167381
H 3.087947 -0.932856 -0.639514
H 2.330318 -4.774201 -2.258458
H 3.657970 -3.805463 -1.556418
H 2.874927 -5.087944 -0.582399
H 0.716977 -2.731700 -2.692621
H 2.229633 -1.843222 -2.400956
H 0.741356 -1.385435 -1.513940
H 3.371692 -1.170156 2.416825
H 1.141462 -0.327388 1.451303
H 2.018833 0.879327 2.495249
H -0.117466 -2.623837 1.975287
H -1.852271 -3.492904 -1.897719
H 4.334898 0.999909 0.839005
H -3.746602 -1.929149 -1.383612
H -0.207508 1.547954 1.838831
H 3.247274 2.675650 -1.964434
H -1.718899 4.826648 -0.588769
H 0.130956 5.506451 -2.688396
H -1.958342 3.218668 1.324904
H 2.409581 4.734688 -3.554755


