%chk=000107625.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107625

0 1
 O    3.983300      -2.391400     -0.8534000    
 O  -0.8629000       2.427200      0.9461000    
 O   -7.004900      0.2626000     -0.5099000    
 O    4.089900       1.636900       1.068900    
 N    3.242900      0.1043000      -1.461400    
 N    3.723400       1.223800      -1.701300    
 N    4.163700       2.249900      -1.934100    
 C   0.8985000      -1.069700     -0.1232000    
 C  -0.5737000      -1.088400      0.3167000    
 C    1.701400      0.1037000      0.4936000    
 C   -1.250600      0.2508000     -0.1164000    
 C   -2.777800      0.2896000      0.2498000    
 C   -3.442900     -0.9666000     -0.4097000    
 C    3.117500     -0.2405000     -3.7999999E-02
 C    1.760100      -2.301600      0.1647000    
 C   -1.311500      -2.301300     -0.2672000    
 C    1.081200       1.416400      1.2000001E-03
 C    3.209800      -1.772100      0.1634000    
 C   -2.803900      -2.281500      4.8400000E-02
 C  -0.3998000       1.449000      0.3629000    
 C   -3.466100       1.544100     -0.3647000    
 C   -4.966600      -1.000100     -0.2342000    
 C    1.688600      0.1042000       2.050000    
 C   -2.977500      0.3005000       1.787000    
 C   -4.991400       1.531300     -0.2371000    
 C   -5.612400      0.2607000     -0.8056000    
 C    4.236100      0.4942000      0.6379000    
 C    5.545600     -0.2360000      0.7657000    
 H   0.8920000     -0.9527000      -1.219200    
 H  -0.6103000      -1.185100       1.406500    
 H   -1.191400      0.3095000      -1.214900    
 H   -3.263800     -0.8982000      -1.494500    
 H    1.515300      -2.717300       1.149100    
 H    1.599500      -3.087700     -0.5804000    
 H  -0.8815000      -3.230300      0.1251000    
 H   -1.176400      -2.327900      -1.356200    
 H    1.128100       1.528900      -1.086900    
 H    1.576000       2.285500      0.4475000    
 H    3.658500      -2.040400       1.125800    
 H   -3.281300      -3.125600     -0.4645000    
 H   -2.963900      -2.441800       1.120500    
 H   -3.207800       1.615800      -1.429500    
 H   -3.101900       2.464400      0.1024000    
 H   -5.387300      -1.873400     -0.7496000    
 H   -5.243700      -1.132500      0.8184000    
 H    2.224000      0.9660000       2.460200    
 H   0.6753000      0.1683000       2.457700    
 H    2.144000     -0.7949000       2.475700    
 H   -2.580600       1.214800       2.238000    
 H   -4.032700      0.2520000       2.069600    
 H   -2.485800     -0.5407000       2.281700    
 H   -5.286600       1.661700      0.8112000    
 H   -5.409700       2.402000     -0.7579000    
 H   -5.509900      0.2613000      -1.896900    
 H    3.963700      -3.350200     -0.6925000    
 H    5.499900     -0.9850000       1.558200    
 H    5.836200     -0.6847000     -0.1867000    
 H    6.323600      0.4872000       1.031900    
 H   -7.107300      0.2454000      0.4570000    


%chk=000107625-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107625

0 1
O 4.209246 -2.404156 -0.673791
O -0.863013 2.343831 1.192117
O -7.087997 0.361878 -0.742802
O 4.139718 1.850839 0.687809
N 3.170903 -0.089777 -1.547328
N 3.548879 0.999253 -2.072887
N 3.867556 1.911003 -2.763915
C 0.898086 -1.103151 -0.100081
C -0.575552 -1.140779 0.346948
C 1.704312 0.083661 0.517995
C -1.266708 0.226607 -0.033242
C -2.795906 0.270053 0.323088
C -3.467478 -0.953611 -0.407109
C 3.151048 -0.249234 -0.040892
C 1.790166 -2.347434 0.151491
C -1.330689 -2.325686 -0.303277
C 1.061699 1.412186 0.042720
C 3.248334 -1.788335 0.242517
C -2.842782 -2.304555 0.004185
C -0.414794 1.415188 0.466851
C -3.436909 1.569124 -0.266496
C -5.010171 -0.949609 -0.274955
C 1.725814 0.067456 2.073767
C -3.008895 0.222638 1.862005
C -4.982922 1.590371 -0.172777
C -5.613122 0.352421 -0.838469
C 4.307186 0.609459 0.551376
C 5.623685 -0.065466 0.880548
H 0.897730 -0.928430 -1.197010
H -0.620490 -1.267625 1.448112
H -1.193111 0.282673 -1.147188
H -3.243356 -0.817200 -1.492159
H 1.507843 -2.865030 1.087884
H 1.708374 -3.073034 -0.677387
H -0.882946 -3.279167 0.039711
H -1.183579 -2.280592 -1.403629
H 1.113995 1.476879 -1.062035
H 1.561978 2.293234 0.474270
H 3.618114 -1.910688 1.282282
H -3.346954 -3.125778 -0.542721
H -3.015972 -2.493835 1.082408
H -3.147400 1.650226 -1.336764
H -3.022690 2.453016 0.246878
H -5.436628 -1.812196 -0.822479
H -5.309010 -1.067669 0.787659
H 2.376819 0.873122 2.454756
H 0.718252 0.254147 2.483942
H 2.076776 -0.893272 2.490455
H -2.598421 1.135418 2.324689
H -4.079730 0.162514 2.122559
H -2.515669 -0.649101 2.327585
H -5.296987 1.630576 0.891309
H -5.377753 2.504491 -0.654189
H -5.436424 0.391910 -1.929995
H 4.191745 -3.385009 -0.538963
H 5.553436 -0.558906 1.870805
H 5.858458 -0.851424 0.142432
H 6.423330 0.689941 0.930907
H -7.335227 0.391034 0.217382


