%chk=000131602.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131602

0 1
 O   0.9452000       1.312800      -2.376700    
 O  -0.4803000      0.9634000       1.798500    
 O    5.247000      0.9978000       2.055900    
 O   -6.148300      0.3342000     -0.5953000    
 O    2.220200      -3.490700      -2.422900    
 O  -0.9087000      -3.959800       1.268600    
 O    5.973200      -1.069100       1.914900    
 O   -6.441000      -1.840900     -0.6466000    
 O    3.892100      -4.155300      -1.165200    
 O   -2.838200      -4.793500      0.6356000    
 N    1.169500       2.355500     -0.3179000    
 N   -1.695000       2.212700      0.2687000    
 N    5.191900     -0.1536000       1.560500    
 N   -5.724700     -0.8346000     -0.4265000    
 N    3.091100      -3.268500      -1.547500    
 N   -2.088300      -3.814600      0.8669000    
 C   0.2591000       3.447500     -0.5838000    
 C  -0.9251000       3.431200      0.3990000    
 C    1.016500       4.778800     -0.5321000    
 C   -1.837200       4.646200      0.1951000    
 C   8.9400001E-02   5.970900     -0.7420000    
 C   -1.064100       5.959100      0.2543000    
 C    1.436600       1.368700      -1.252500    
 C   -1.400100       1.068100      0.9913000    
 C    2.374000      0.3019000     -0.8163000    
 C   -2.268700     -0.1073000      0.7242000    
 C    2.293400     -0.9708000      -1.381500    
 C   -1.775400      -1.397300      0.9192000    
 C    3.334300      0.5725000      0.1584000    
 C   -3.577200      7.9099998E-02  0.2785000    
 C    4.214100     -0.4294000      0.5679000    
 C   -4.392300      -1.024500      2.7600000E-02
 C    3.173100      -1.972800     -0.9718000    
 C   -2.590600      -2.500900      0.6682000    
 C    4.133500      -1.702100      2.9000000E-03
 C   -3.899000      -2.314600      0.2224000    
 H  -0.1390000       3.328400      -1.600300    
 H  -0.5313000       3.467100       1.424200    
 H    1.524200       4.880600      0.4363000    
 H    1.804400       4.789800      -1.295400    
 H   -2.346900       4.571700     -0.7748000    
 H   -2.626300       4.651800      0.9573000    
 H   0.6572000       6.902300     -0.6377000    
 H  -0.3078000       5.950800      -1.764200    
 H   -1.740800       6.795100      4.4500001E-02
 H  -0.6747000       6.109300       1.268700    
 H    1.561000       2.308100      0.6164000    
 H   -2.393700       2.189100     -0.4664000    
 H    1.534800      -1.167300      -2.135700    
 H  -0.7507000      -1.525400       1.260800    
 H    3.426700       1.571200      0.5752000    
 H   -3.977300       1.082100      0.1593000    
 H    4.819300      -2.483400      0.3223000    
 H   -4.534600      -3.175100      2.6699999E-02


%chk=000131602-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131602

0 1
O 2.097402 2.176990 -2.700544
O -0.232054 1.047035 1.580738
O 1.701908 -1.998556 2.111420
O -6.463917 0.470264 0.612299
O 5.955730 -0.745447 -3.499075
O -0.961111 -3.895166 1.969475
O 3.580133 -3.261327 1.822727
O -6.852333 -1.732798 1.068441
O 6.328529 -2.561669 -2.168694
O -3.103697 -4.668160 2.139275
N 1.119389 2.248354 -0.590834
N -1.716171 2.166627 0.184022
N 2.794238 -2.297616 1.492502
N -6.072684 -0.721744 0.914485
N 5.685724 -1.489693 -2.483564
N -2.236214 -3.739224 1.926347
C 0.227148 3.377489 -0.920371
C -0.931652 3.427962 0.115648
C 0.988055 4.730525 -0.938290
C -1.889257 4.603405 -0.191958
C 0.033911 5.905457 -1.249318
C -1.133896 5.952471 -0.238344
C 1.964243 1.702466 -1.525357
C -1.359007 1.100837 0.975066
C 2.740689 0.469644 -1.100042
C -2.349343 -0.029528 1.105928
C 3.812567 0.071388 -1.933773
C -1.850248 -1.309809 1.454846
C 2.414080 -0.308750 0.035851
C -3.739537 0.159009 0.930386
C 3.168343 -1.468063 0.310636
C -4.607654 -0.938735 1.093476
C 4.548332 -1.082636 -1.607049
C -2.757377 -2.377055 1.591565
C 4.252413 -1.879266 -0.484391
C -4.146678 -2.225071 1.421941
H -0.185976 3.201561 -1.935216
H -0.483880 3.571859 1.120019
H 1.468516 4.883456 0.049221
H 1.791776 4.662669 -1.691704
H -2.376937 4.428161 -1.174771
H -2.687488 4.634445 0.573755
H 0.594388 6.858194 -1.229203
H -0.367633 5.793801 -2.277043
H -1.841856 6.760677 -0.499732
H -0.738651 6.186276 0.770872
H 1.014366 1.845142 0.352521
H -2.564234 2.114666 -0.385248
H 4.046847 0.659565 -2.826054
H -0.779050 -1.463014 1.627645
H 1.587173 -0.062622 0.711370
H -4.181594 1.135225 0.709229
H 4.830879 -2.775996 -0.249366
H -4.832150 -3.067372 1.545437


