%chk=000168617.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168617

0 1
 O    2.943500      -1.358400      6.3000001E-02
 O    2.049100       1.078100       1.700400    
 O   0.8784000       2.784200     -0.4806000    
 O   -1.667100       3.119600     -0.2467000    
 O   -4.109600       1.939800     -0.1959000    
 O   -4.356700     -0.7564000     -6.5300003E-02
 O   -3.188300      -3.044500      9.0400003E-02
 C    3.262600      0.9707000     -0.4192000    
 C    1.924600      0.7771000      0.3117000    
 C    3.978600     -0.3592000     -6.8000004E-02
 C    1.725100     -0.6988000      0.1408000    
 C    4.091400       2.137500      0.1802000    
 C    3.131200       1.214900      -1.928300    
 C   0.7463000       1.609000     -0.1546000    
 C   0.5336000      -1.320500     -8.3999997E-03
 C  -0.6676000     -0.4395000     -3.9299998E-02
 C  -0.5808000      0.9591000     -0.1248000    
 C    4.817600     -0.3929000       1.207300    
 C   0.3540000      -2.777000     -0.1436000    
 C   -1.948100      -1.016200     -3.1800002E-02
 C   -1.729900       1.757900     -0.1818000    
 C  -0.8798000      -3.309900     -0.1361000    
 C   -2.102700      -2.486100     -1.2300000E-02
 C   -3.101300     -0.2208000     -7.6200001E-02
 C   -2.987900       1.164500     -0.1499000    
 C    1.529500      -3.707200     -0.2821000    
 C   -4.645800       2.374900       1.051000    
 H    4.620700     -0.6726000     -0.9001000    
 H    5.094100       2.169300     -0.2622000    
 H    3.610600       3.096900     -4.4300001E-02
 H    4.204700       2.098200       1.267400    
 H    2.522100      0.4410000      -2.407800    
 H    2.681100       2.186200      -2.154300    
 H    4.115900       1.197000      -2.409700    
 H    4.235800     -0.1379000       2.097700    
 H    5.183600      -1.412700       1.376300    
 H    5.692000      0.2608000       1.144400    
 H    1.284900      0.7003000       2.168900    
 H   -1.034700      -4.381900     -0.2156000    
 H    2.133900      -3.445300      -1.156900    
 H    1.216500      -4.748800     -0.4211000    
 H    2.154100      -3.686000      0.6171000    
 H   -2.567300       3.475700     -0.3382000    
 H   -4.324900      -1.717600      4.8400000E-02
 H   -3.904900       2.949200       1.616200    
 H   -4.984400       1.518400       1.642500    
 H   -5.505300       3.019500      0.8477000    


%chk=000168617-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168617

0 1
O 2.987336 -1.371939 -0.180513
O 2.165781 0.960832 1.667563
O 1.094554 2.858523 -0.660304
O -1.566061 3.258587 -0.073204
O -3.977220 2.278191 0.049994
O -4.355484 -0.644495 0.116626
O -3.350586 -2.875230 0.090389
C 3.443800 1.007203 -0.449080
C 2.035534 0.773161 0.184614
C 4.144855 -0.360721 -0.142582
C 1.796116 -0.705193 -0.042187
C 4.187641 2.226693 0.128380
C 3.302427 1.146199 -1.991375
C 0.864201 1.680372 -0.261434
C 0.533535 -1.291342 -0.060354
C -0.621931 -0.365453 -0.011175
C -0.467307 1.071919 -0.081795
C 4.875090 -0.528842 1.189183
C 0.312708 -2.739308 -0.100922
C -1.930610 -0.922964 0.049950
C -1.647622 1.880566 -0.041894
C -0.981295 -3.234524 -0.050269
C -2.133326 -2.372913 0.035517
C -3.111451 -0.083580 0.079344
C -2.947604 1.315427 0.064130
C 1.467902 -3.716583 -0.177941
C -5.129160 2.082580 0.963442
H 4.783629 -0.678312 -0.985544
H 5.209317 2.284738 -0.291713
H 3.643934 3.145723 -0.145032
H 4.253754 2.182679 1.226229
H 2.783435 0.279510 -2.442905
H 2.741676 2.058879 -2.245347
H 4.306423 1.215844 -2.447983
H 4.234960 -0.225210 2.031927
H 5.181807 -1.581235 1.320117
H 5.787487 0.094103 1.194484
H 1.253768 0.982244 2.063144
H -1.172808 -4.311512 -0.068646
H 2.075013 -3.554604 -1.086221
H 1.092269 -4.752432 -0.182788
H 2.160882 -3.594251 0.673550
H -2.508877 3.598953 -0.027372
H -4.181775 -1.723163 0.115907
H -4.786254 2.086074 2.015324
H -5.632991 1.132483 0.731923
H -5.789073 2.941921 0.773140


