%chk=000056962.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056962

0 1
 O  -0.1051000      0.5284000      -2.005300    
 C   9.8399997E-02   1.462700      0.2053000    
 C  -3.9799999E-02  0.1560000     -0.6075000    
 C    1.468000       2.110400     -1.2100000E-02
 C   -1.035500       2.443900     -0.1404000    
 C    1.662900       3.343000      0.8753000    
 C  -0.6844000       3.909200      0.1328000    
 C   0.3569000       4.054000       1.233200    
 C   -1.410900     -0.4908000     -0.3234000    
 C    1.240400     -0.6791000     -0.4476000    
 C   -1.676400      -1.602200      0.5034000    
 C    1.528300      -1.428400      0.7079000    
 C  -0.6633000      -2.383500       1.303700    
 C   0.5258000      -1.590200       1.812900    
 C   -2.536800      0.1336000     -0.9334000    
 C    2.246000     -0.6270000      -1.443400    
 C   -3.005700      -2.086000      0.6109000    
 C    2.761600      -2.101600      0.8331000    
 C   -3.840400     -0.3438000     -0.7953000    
 C    3.462800      -1.301000      -1.311800    
 C   -4.074700      -1.467800     -2.8400000E-02
 C    3.722000      -2.039900     -0.1700000    
 H   1.5300000E-02   1.240600       1.276500    
 H    1.598600       2.425500      -1.053700    
 H    2.303900       1.448100      0.2271000    
 H   -1.926500       2.206500      0.4520000    
 H   -1.298100       2.446400      -1.199600    
 H    2.336900       4.041600      0.3643000    
 H    2.169800       3.057200       1.805300    
 H   -1.592800       4.464000      0.3944000    
 H  -0.2948000       4.368800     -0.7850000    
 H  -4.3400001E-02   3.634200       2.164700    
 H   0.5573000       5.113100       1.430400    
 H   -1.166200      -2.785800       2.194100    
 H  -0.3414000      -3.249200      0.7097000    
 H   0.9820000      -2.147500       2.641500    
 H   0.2358000     -0.6262000       2.238900    
 H   0.3704000       1.357700      -2.164700    
 H   -2.436200      0.9471000      -1.643700    
 H    2.113700     -4.5299999E-02  -2.352400    
 H   -3.215700      -2.964100       1.220300    
 H    2.977000      -2.691300       1.721700    
 H   -4.659100      0.1478000      -1.311900    
 H    4.206200      -1.236900      -2.100800    
 H   -5.080100      -1.862300      7.8900002E-02
 H    4.665200      -2.565200     -5.7999998E-02


%chk=000056962-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056962

0 1
O -0.029155 0.710580 -2.131239
C 0.136125 1.524199 0.182606
C 0.005931 0.228629 -0.727089
C 1.429096 2.336158 -0.096582
C -1.102946 2.463290 0.067203
C 1.663750 3.380366 1.035511
C -0.766933 3.926541 0.483343
C 0.322689 3.960351 1.579905
C -1.354819 -0.485368 -0.507022
C 1.235080 -0.707434 -0.555538
C -1.650599 -1.376822 0.572622
C 1.584055 -1.303788 0.694308
C -0.686004 -1.956809 1.617746
C 0.662593 -1.260255 1.902460
C -2.392215 -0.181488 -1.433321
C 2.069884 -0.951487 -1.675357
C -2.978116 -1.881396 0.685074
C 2.777181 -2.064284 0.786652
C -3.691996 -0.707839 -1.312517
C 3.249520 -1.721261 -1.572672
C -3.996575 -1.561997 -0.230800
C 3.620393 -2.268676 -0.326939
H 0.200032 1.183761 1.229193
H 1.331607 2.878787 -1.062262
H 2.308636 1.672000 -0.184259
H -1.917472 2.067742 0.701764
H -1.480373 2.452136 -0.972017
H 2.299237 4.198620 0.645483
H 2.229676 2.908099 1.861925
H -1.686276 4.436035 0.829422
H -0.405452 4.498956 -0.394633
H -0.025275 3.367451 2.449363
H 0.477420 4.992072 1.948597
H -1.239989 -2.037992 2.573738
H -0.458712 -2.999043 1.309604
H 1.148739 -1.798255 2.737999
H 0.482693 -0.233995 2.267584
H 0.703596 1.369725 -2.234655
H -2.146750 0.472288 -2.272026
H 1.768973 -0.554007 -2.648441
H -3.203039 -2.559164 1.519042
H 3.038039 -2.514701 1.752560
H -4.456404 -0.449257 -2.053745
H 3.867742 -1.892022 -2.461232
H -5.003323 -1.976326 -0.105841
H 4.537636 -2.859420 -0.225615


