%chk=000133226.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133226

0 1
 O  -0.7115000      -2.675100      0.9121000    
 O   -1.262200      -1.906800      -2.797300    
 O   -2.741100      -3.098600      -1.548200    
 C    1.473800      -1.892600       1.626200    
 C    2.249000      -2.992200      0.8862000    
 C   7.3100001E-02  -2.345800       2.054400    
 C    3.662800      -2.567300      0.4699000    
 C  -0.6526000      -1.238600       2.806700    
 C    3.668900      -1.428400     -0.5095000    
 C    4.228700     -0.2324000     -0.2659000    
 C   -3.833000     -0.8697000     -0.3294000    
 C   -4.383000      0.4532000      0.2117000    
 C    4.302300      0.9492000      -1.198800    
 C   -2.754500     -0.6883000      -1.394100    
 C   -3.337500       1.300400      0.8781000    
 C    3.606400       2.188300     -0.7153000    
 C   -1.942900       3.369100       1.121200    
 C   -2.977100       2.517900      0.4450000    
 C    1.618100       3.691700     -0.4603000    
 C    2.311100       2.452300     -0.9447000    
 C  -0.8010000       3.688000      0.2011000    
 C   0.4734000       3.349600      0.4492000    
 C   -2.271200      -2.023900      -1.898300    
 H    2.044700      -1.576500       2.507500    
 H    1.374300      -1.021600      0.9670000    
 H    1.689400      -3.305400     -4.0000002E-03
 H    2.327900      -3.873300       1.534900    
 H   0.1463000      -3.238700       2.685300    
 H    4.165600      -3.422500      2.4999999E-03
 H    4.243300      -2.315800       1.365900    
 H   -1.664000      -1.556000       3.082600    
 H  -0.1150000     -0.9600000       3.718000    
 H  -0.7609000     -0.3475000       2.179200    
 H    3.198200      -1.605400      -1.473300    
 H    4.702600     -7.9899997E-02  0.7029000    
 H   -4.668600      -1.446400     -0.7464000    
 H   -3.435200      -1.464500      0.5032000    
 H   -5.168000      0.2369000      0.9464000    
 H   -4.865800       1.003200     -0.6056000    
 H   -1.573200      -2.995700       1.228700    
 H    5.358400       1.190800      -1.370600    
 H    3.902600      0.6683000      -2.182100    
 H   -1.890200     -0.1585000     -0.9801000    
 H   -3.153300     -0.1226000      -2.242800    
 H   -2.868900      0.8874000       1.767100    
 H    4.200100       2.885200     -0.1288000    
 H   -1.581600       2.888600       2.038800    
 H   -2.414400       4.310000       1.428800    
 H   -3.459900       2.933500     -0.4366000    
 H    2.311200       4.343600      8.4799998E-02
 H    1.272000       4.259100      -1.332400    
 H    1.721000       1.749400      -1.528700    
 H   -1.037700       4.241000     -0.7052000    
 H   0.7135000       2.812200       1.364000    
 H  -0.9582000      -2.780900      -3.122400    


%chk=000133226-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133226

0 1
O -0.141920 -3.528750 1.044163
O -0.710046 -1.833917 -0.779080
O -2.477576 -2.211189 0.670311
C 2.098849 -2.808275 1.690995
C 2.796114 -3.574885 0.546779
C 0.810345 -3.485114 2.189922
C 3.982379 -2.783613 -0.070352
C 0.174416 -2.756556 3.385621
C 3.539655 -1.537147 -0.812164
C 3.994684 -0.277561 -0.585941
C -4.154725 -0.282543 -0.703454
C -4.672174 1.167182 -0.929472
C 3.576756 0.949564 -1.380509
C -2.656635 -0.433467 -1.038547
C -3.986819 2.154616 -0.005690
C 3.063525 2.095337 -0.521728
C -2.541254 4.184993 0.549955
C -3.289451 3.253646 -0.395137
C 1.399602 3.954497 0.060737
C 1.895582 2.754613 -0.735802
C -1.105866 4.411773 0.092628
C -0.016560 3.763288 0.581434
C -1.973037 -1.574543 -0.309875
H 2.795678 -2.711420 2.548492
H 1.854258 -1.780103 1.358577
H 2.057203 -3.802662 -0.245688
H 3.162774 -4.550792 0.924804
H 1.025685 -4.539354 2.461046
H 4.516373 -3.454896 -0.775368
H 4.709539 -2.512290 0.721342
H -0.762205 -3.249094 3.706945
H 0.867509 -2.756950 4.246238
H -0.056081 -1.707008 3.126951
H 2.787163 -1.693496 -1.602617
H 4.737672 -0.111377 0.211436
H -4.751763 -0.990373 -1.309131
H -4.311404 -0.569780 0.353240
H -5.766330 1.174869 -0.745971
H -4.522164 1.470082 -1.984687
H -1.096955 -3.388624 1.326524
H 4.462151 1.313067 -1.949472
H 2.812324 0.670716 -2.129742
H -2.114118 0.491050 -0.750143
H -2.478679 -0.555710 -2.122863
H -4.041801 1.915247 1.069489
H 3.715035 2.412579 0.309004
H -2.556572 3.760369 1.571435
H -3.062242 5.164249 0.598435
H -3.222016 3.494291 -1.468037
H 2.097463 4.148159 0.899490
H 1.417408 4.854136 -0.588788
H 1.238070 2.428926 -1.556787
H -0.965127 5.136903 -0.725335
H -0.146274 3.017354 1.380781
H -0.252215 -2.542018 -0.155794


