%chk=000013790.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013790

0 1
 O    4.271100      -1.995600     -0.1713000    
 O   -5.937400     -0.7785000      -1.264700    
 C    2.384400     -0.1046000      0.6207000    
 C    1.429800       1.095000      0.3793000    
 C  -3.2600001E-02  0.8296000      0.7992000    
 C    3.635400      0.3114000     -0.2284000    
 C  -0.6013000     -0.4608000      0.1690000    
 C    1.739200      -1.423400      0.1014000    
 C    1.639700       1.471600      -1.097200    
 C   0.2949000      -1.646100      0.5635000    
 C    3.017600      0.9356000      -1.495600    
 C   -2.130700     -0.6327000      0.4824000    
 C    2.703900     -0.2632000       2.120100    
 C  -0.9291000       2.008300      0.5358000    
 C    4.567300       1.332700      0.4469000    
 C   -2.885400      0.6160000     -2.6200000E-02
 C    4.502800     -0.8649000     -0.5966000    
 C   -2.650500      -1.897200     -0.2573000    
 C   -2.213900       1.919800      0.1439000    
 C   -2.398400     -0.7928000       1.998300    
 C   -4.165600      -2.022100     -0.2558000    
 C   -4.098100      0.5250000     -0.6058000    
 C    5.664800     -0.5886000      -1.511900    
 C   -4.813000     -0.7645000     -0.7658000    
 C   -2.994900       3.190200     -8.3899997E-02
 H    1.782800       1.948900      0.9763000    
 H  -1.3800000E-02  0.7074000       1.890600    
 H  -0.5267000     -0.3709000     -0.9251000    
 H    2.268800      -2.304200      0.4756000    
 H    1.754800      -1.468600     -0.9942000    
 H    1.597300       2.559700      -1.222200    
 H   0.8784000       1.049300      -1.759700    
 H  -6.1500002E-02  -2.570900      9.8099999E-02
 H   0.2664000      -1.809900       1.645800    
 H    2.894500      0.1915000      -2.292800    
 H    3.633100       1.739500      -1.915800    
 H    3.476200      -1.022900       2.280500    
 H    3.060500      0.6725000       2.563000    
 H    1.825000     -0.5631000       2.698500    
 H  -0.4903000       2.990600      0.6989000    
 H    5.129200      0.8792000       1.271800    
 H    5.304300       1.745500     -0.2516000    
 H    4.014700       2.187700      0.8490000    
 H   -2.236400      -2.807800      0.1910000    
 H   -2.306400      -1.876900      -1.300900    
 H   -1.938600      -1.706300       2.389900    
 H   -2.015100      4.8599999E-02   2.583800    
 H   -3.470700     -0.8515000       2.216200    
 H   -4.553700      -2.233500      0.7454000    
 H   -4.455100      -2.850500     -0.9122000    
 H   -4.637100       1.389300     -0.9789000    
 H    5.377200      5.4499999E-02  -2.345500    
 H    6.487400     -0.1388000     -0.9515000    
 H    6.014600      -1.536100      -1.933900    
 H   -3.898500       3.208200      0.5352000    
 H   -3.279700       3.287800      -1.136900    
 H   -2.415300       4.083900      0.1743000    


%chk=000013790-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000013790

0 1
O 4.853633 -1.770519 0.361363
O -5.999961 -0.740425 -1.360276
C 2.412853 -0.101624 0.692190
C 1.450715 1.115696 0.458315
C -0.026863 0.815519 0.852154
C 3.676749 0.319553 -0.176285
C -0.581944 -0.456328 0.165723
C 1.781385 -1.406673 0.101538
C 1.678915 1.565544 -1.019053
C 0.317260 -1.658606 0.535064
C 3.035131 0.935723 -1.466511
C -2.116380 -0.643297 0.453586
C 2.720287 -0.310505 2.194329
C -0.921577 2.008263 0.616320
C 4.545763 1.409822 0.534544
C -2.857382 0.616641 -0.044502
C 4.665195 -0.833225 -0.462917
C -2.635368 -1.894268 -0.316571
C -2.217928 1.933175 0.170376
C -2.400364 -0.799841 1.980198
C -4.172886 -2.013007 -0.343322
C -4.111324 0.529686 -0.617543
C 5.473429 -0.784086 -1.758353
C -4.845159 -0.728265 -0.824885
C -3.011236 3.202154 -0.098836
H 1.787811 1.938060 1.124497
H -0.007337 0.618663 1.950008
H -0.499318 -0.309032 -0.934675
H 2.411211 -2.264871 0.396508
H 1.802719 -1.363829 -1.006772
H 1.701214 2.667250 -1.093497
H 0.856286 1.226811 -1.674324
H -0.036891 -2.580988 0.038357
H 0.271054 -1.848414 1.625522
H 2.854989 0.152782 -2.225997
H 3.703221 1.683071 -1.931109
H 3.504733 -1.075724 2.320890
H 3.057500 0.624274 2.678239
H 1.820402 -0.650571 2.738981
H -0.485838 3.000216 0.809639
H 4.991653 1.027696 1.468194
H 5.369104 1.742890 -0.124422
H 3.935694 2.298319 0.775217
H -2.208546 -2.809728 0.133416
H -2.262598 -1.842152 -1.360116
H -1.870110 -1.678606 2.389803
H -2.083938 0.093537 2.546086
H -3.479884 -0.937066 2.165388
H -4.566364 -2.237090 0.669225
H -4.503730 -2.843717 -0.992052
H -4.642264 1.428371 -0.951227
H 4.853811 -1.158676 -2.596288
H 5.781258 0.243529 -2.020235
H 6.357832 -1.434028 -1.665869
H -3.951464 3.227218 0.483139
H -3.288922 3.288215 -1.166610
H -2.419929 4.094883 0.166135


