%chk=000102829.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102829

0 1
 O    8.255600      -1.758300      0.9674000    
 C    1.554500      0.5851000      0.2147000    
 C   0.2862000     -3.1199999E-02 -0.3852000    
 C    2.843000      5.1300000E-02 -0.4166000    
 C   -1.002400      0.4808000      0.2620000    
 C    4.114200      0.6577000      0.1890000    
 C   -2.235100     -0.1758000     -0.3640000    
 C    5.402100      0.1007000     -0.4228000    
 C   -3.523300      0.3097000      0.3029000    
 C    6.676200      0.7008000      0.1856000    
 C   -4.757700     -0.3218000     -0.3451000    
 C    8.006800      0.2338000     -0.4397000    
 C   -6.046100      0.1907000      0.3027000    
 C   -7.318600     -0.3856000     -0.3271000    
 C   -8.605700      0.1464000      0.3089000    
 C    8.211400      -1.286200     -0.3718000    
 C    9.167900      0.9688000      0.2420000    
 C   -9.873200     -0.4841000     -0.2744000    
 C   -11.15590      1.7100001E-02  0.3714000    
 H    1.517400       1.674600      9.3099996E-02
 H    1.574200      0.3869000       1.293400    
 H    2.827100      0.2530000      -1.494600    
 H    2.874900      -1.038900     -0.2988000    
 H   0.2603000      0.1802000      -1.461400    
 H   0.3350000      -1.122000     -0.2780000    
 H   -1.063800       1.569500      0.1461000    
 H  -0.9789000      0.2703000       1.338000    
 H    4.121000      0.4718000       1.270100    
 H    4.091600       1.746100      5.4699998E-02
 H   -2.266200      5.2499998E-02  -1.436400    
 H   -2.161900      -1.265900     -0.2674000    
 H    5.398800      0.2875000      -1.503500    
 H    5.406500     -0.9864000     -0.2860000    
 H   -3.501100      6.2799998E-02   1.371300    
 H   -3.586400       1.401900      0.2245000    
 H    6.615600       1.793600      9.5600002E-02
 H    6.684100      0.4845000       1.262000    
 H   -4.708400      -1.413200     -0.2509000    
 H   -4.771300     -8.9100003E-02  -1.416700    
 H    8.003200      0.5211000      -1.499100    
 H   -6.077300       1.284900      0.2274000    
 H   -6.034200     -5.2099999E-02   1.372600    
 H   -7.327000     -0.1565000      -1.399800    
 H   -7.296400      -1.478700     -0.2369000    
 H   -8.649900       1.234800      0.1798000    
 H   -8.577400     -4.3400001E-02   1.389000    
 H    7.414600      -1.815900     -0.9026000    
 H    9.159000      -1.553800     -0.8528000    
 H    9.208400      0.7522000       1.314700    
 H    10.12550      0.6747000     -0.2006000    
 H    9.064800       2.052500      0.1208000    
 H   -9.823200      -1.573300     -0.1582000    
 H   -9.915700     -0.2815000      -1.351200    
 H   -11.25960       1.099200      0.2434000    
 H   -11.16510     -0.2046000       1.443300    
 H   -12.02560     -0.4658000     -8.4700003E-02
 H    8.394100      -2.719900      0.9271000    


%chk=000102829-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102829

0 1
O 8.402605 -1.662534 0.897351
C 1.597144 0.476707 0.267357
C 0.322794 -0.155531 -0.336539
C 2.904863 -0.058238 -0.358713
C -0.984463 0.391300 0.280169
C 4.177982 0.571084 0.250554
C -2.259486 -0.240981 -0.322323
C 5.486582 0.058264 -0.392896
C -3.566318 0.313189 0.288775
C 6.749955 0.674137 0.249784
C -4.842081 -0.316949 -0.314382
C 8.083455 0.332071 -0.466666
C -6.148253 0.241711 0.293986
C -7.424864 -0.384993 -0.311200
C -8.730776 0.174925 0.296542
C 8.354755 -1.183911 -0.498798
C 9.269930 1.085864 0.178706
C -10.007478 -0.450273 -0.311094
C -11.307350 0.113988 0.302353
H 1.555125 1.578777 0.138653
H 1.613567 0.293198 1.362182
H 2.890591 0.130652 -1.452891
H 2.945961 -1.160866 -0.234857
H 0.311577 0.020220 -1.432829
H 0.359746 -1.256733 -0.199488
H -1.021230 1.492261 0.141162
H -0.972763 0.217616 1.376692
H 4.203295 0.365481 1.341047
H 4.127388 1.675304 0.144506
H -2.268189 -0.071778 -1.419626
H -2.225918 -1.341402 -0.178512
H 5.471577 0.287521 -1.480107
H 5.519814 -1.046333 -0.302544
H -3.558057 0.143861 1.386021
H -3.598780 1.413694 0.145240
H 6.640590 1.778655 0.264652
H 6.823138 0.343619 1.303828
H -4.811573 -1.417187 -0.168458
H -4.848845 -0.149837 -1.412015
H 7.995445 0.650388 -1.528874
H -6.177153 1.342254 0.149899
H -6.142621 0.073026 1.391367
H -7.430252 -0.216464 -1.408670
H -7.396536 -1.485563 -0.166807
H -8.759803 1.275640 0.153625
H -8.727953 0.004958 1.393769
H 7.551842 -1.708198 -1.058812
H 9.324528 -1.374075 -1.008602
H 9.417684 0.742639 1.217582
H 10.210721 0.908298 -0.376431
H 9.084356 2.175796 0.193469
H -9.977000 -1.550027 -0.168768
H -10.009560 -0.279393 -1.407155
H -11.376255 1.207439 0.147418
H -11.343887 -0.071939 1.392538
H -12.204329 -0.348514 -0.149473
H 8.611364 -2.629320 0.905501


