%chk=000147902.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147902

0 1
 O   -1.675300       2.206800      0.1574000    
 O    1.689800      -1.917100      6.5700002E-02
 O   -4.946100     -0.1753000      0.3712000    
 O    4.944300      0.1386000     -0.3996000    
 O   -3.577900      0.5771000      -1.312300    
 O    3.544500      -1.223200      0.8079000    
 N   0.8955000       2.745500     -0.3926000    
 N  -0.8805000      -2.455600      0.6194000    
 N   -2.726600     -0.2671000      0.6790000    
 N    2.741700      0.5570000     -0.4525000    
 C    2.043000       3.272200      0.3387000    
 C   0.6569000       3.707500      0.6783000    
 C   -2.027900      -2.982200     -0.1118000    
 C  -0.6419000      -3.417500     -0.4513000    
 C   0.5437000       1.441300     -0.1565000    
 C  -0.5286000      -1.151200      0.3832000    
 C   -1.394600     -0.1271000      0.4117000    
 C    1.409500      0.4171000     -0.1849000    
 C  -0.9002000       1.252400      0.1384000    
 C   0.9151000     -0.9624000      8.7800004E-02
 C   -3.731000      9.1799997E-02 -0.1955000    
 C    3.721900     -0.2681000      5.8100000E-02
 C   -6.091500      0.1478000     -0.4253000    
 C    6.066700     -0.6287000      5.0099999E-02
 C   -7.348400     -0.2112000      0.3523000    
 C    7.335300     -4.2399999E-02 -0.5501000    
 C   -8.608000      9.1200002E-02 -0.4393000    
 C    8.570500     -0.8172000     -0.1273000    
 H    2.537900       2.650800       1.071400    
 H    2.658900       3.932000     -0.2542000    
 H   0.3145000       4.666400      0.3183000    
 H   0.2278000       3.337800       1.598900    
 H   -2.644300      -3.641000      0.4814000    
 H   -2.519300      -2.370500     -0.8538000    
 H  -0.2126000      -3.047900      -1.371900    
 H  -0.2994000      -4.376300     -9.1300003E-02
 H   -2.988900     -0.9470000       1.388200    
 H    3.050400       1.401300     -0.9251000    
 H   -6.082400       1.220100     -0.6534000    
 H   -6.051600     -0.4217000      -1.361300    
 H    6.114900     -0.5911000       1.144600    
 H    5.943500      -1.669600     -0.2713000    
 H   -7.363100      0.3383000       1.301100    
 H   -7.323700      -1.274200      0.6205000    
 H    7.256000     -3.6400001E-02  -1.643800    
 H    7.432800       1.007800     -0.2498000    
 H   -9.495300     -0.1758000      0.1432000    
 H   -8.630800     -0.4789000      -1.373500    
 H   -8.670700       1.156100     -0.6848000    
 H    9.466900     -0.3742000     -0.5723000    
 H    8.509800      -1.860500     -0.4531000    
 H    8.689000     -0.8031000      0.9608000    


%chk=000147902-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147902

0 1
O -1.324625 1.968849 1.254213
O 1.323965 -2.074300 -1.320400
O -5.046126 -0.041779 0.454232
O 5.044882 -0.054243 -0.512215
O -3.805162 -0.719425 -1.428967
O 3.796452 0.637053 1.361194
N 1.220852 2.428740 0.388483
N -1.222192 -2.537046 -0.450204
N -2.798522 -0.238820 0.664264
N 2.796997 0.133192 -0.729802
C 2.406071 3.240928 0.685652
C 1.005821 3.597625 1.233673
C -2.413378 -3.329415 -0.784816
C -1.011172 -3.689333 -1.322299
C 0.736211 1.178364 0.231074
C -0.738068 -1.283905 -0.298316
C -1.423349 -0.203194 0.270723
C 1.421423 0.097376 -0.337769
C -0.731595 1.023604 0.616881
C 0.730128 -1.129178 -0.683212
C -3.856389 -0.360741 -0.222774
C 3.852508 0.267035 0.158657
C -6.289358 -0.137282 -0.357173
C 6.285620 0.051623 0.301726
C -7.438693 0.341338 0.531559
C 7.439352 -0.426183 -0.581736
C -8.791343 0.263576 -0.210906
C 8.789657 -0.340237 0.163998
H 3.139633 2.798696 1.365716
H 2.809553 3.820005 -0.153279
H 0.441679 4.423648 0.787570
H 0.794997 3.414263 2.291841
H -2.834794 -3.922772 0.034941
H -3.132391 -2.861399 -1.463134
H -0.783284 -3.483489 -2.372598
H -0.462676 -4.531902 -0.888050
H -3.015287 0.281154 1.522256
H 3.015905 -0.395953 -1.581715
H -6.174870 0.487561 -1.262280
H -6.425674 -1.187761 -0.677932
H 6.416024 1.104362 0.617445
H 6.171925 -0.569129 1.209769
H -7.237529 1.380380 0.852248
H -7.469987 -0.278196 1.447378
H 7.242959 -1.467288 -0.898685
H 7.470759 0.189645 -1.500058
H -9.613752 0.614267 0.437176
H -9.023432 -0.773510 -0.517977
H -8.788561 0.892389 -1.120877
H 9.615237 -0.689563 -0.480788
H 8.787191 -0.966047 1.076034
H 9.016609 0.698816 0.468258


