%chk=000043836.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043836

0 1
 O    2.126300       1.593000      0.4772000    
 O    1.164200      -5.104800     -3.7999999E-02
 O   0.8437000      -3.348600      -1.440700    
 C    4.205800       2.250200     -0.5675000    
 C    3.399300       1.112900      6.5300003E-02
 C    1.095400      0.6900000      0.4762000    
 C   -1.253000      0.2099000      0.2457000    
 C   0.3089000      -1.573900      0.7099000    
 C    4.440700       3.388100      0.4282000    
 C    5.538400       1.726800      -1.099200    
 C  -0.2034000       1.128600      0.2445000    
 C    1.358600     -0.6553000      0.7089000    
 C  -0.9969000      -1.141200      0.4783000    
 C   -2.607400      0.6589000      7.0000002E-03
 C   0.5837000      -3.018600      0.9581000    
 C   -3.109800      0.6992000      -1.293800    
 C   -3.411500       1.051000       1.077400    
 C   0.8697000      -3.805300     -0.3061000    
 C   -4.415700       1.131800      -1.524200    
 C   -4.717500       1.483600      0.8469000    
 C   -5.219500       1.523900     -0.4539000    
 H    3.629700       2.662300      -1.405900    
 H    3.300500      0.3219000     -0.6903000    
 H    3.930300      0.7111000      0.9369000    
 H    5.020400       4.194100     -3.4400001E-02
 H    4.991100       3.037900       1.308000    
 H    3.493200       3.817500      0.7696000    
 H    6.108900       2.530000      -1.577400    
 H    5.378800      0.9417000      -1.845900    
 H    6.151900       1.309000     -0.2937000    
 H  -0.3899000       2.185000      6.4800002E-02
 H    2.361200      -1.016500      0.9187000    
 H   -1.812700      -1.861400      0.4780000    
 H  -0.2750000      -3.480900       1.459900    
 H    1.445200      -3.123600       1.628800    
 H   -2.496700      0.3969000      -2.139600    
 H   -3.035900       1.025600       2.097700    
 H   -4.806800       1.163300      -2.536900    
 H   -5.343500       1.788900       1.680100    
 H   -6.236400       1.860600     -0.6332000    
 H    1.348700      -5.613600     -0.8562000    


%chk=000043836-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043836

0 1
O 2.106608 1.504355 -0.214516
O 0.541399 -4.708297 -1.102288
O 2.556801 -3.698785 -0.547854
C 4.395073 2.297877 -0.421773
C 3.515417 1.066152 -0.158921
C 1.108584 0.544229 -0.003082
C -1.315459 0.155212 0.097439
C 0.266308 -1.701991 0.449272
C 4.205548 3.368810 0.675958
C 5.874273 1.859243 -0.536946
C -0.219151 1.028456 -0.084678
C 1.362147 -0.821619 0.264087
C -1.055785 -1.220208 0.365278
C -2.716557 0.663154 0.011603
C 0.522755 -3.178902 0.767918
C -3.760916 -0.154842 -0.501599
C -3.046195 1.978034 0.442111
C 1.335819 -3.856463 -0.323557
C -5.086573 0.322875 -0.579835
C -4.370612 2.458421 0.362496
C -5.399298 1.632845 -0.148191
H 4.074575 2.727428 -1.392081
H 3.688158 0.284147 -0.927122
H 3.731624 0.638117 0.843485
H 4.791168 4.276883 0.443058
H 4.548279 2.987335 1.657721
H 3.143278 3.652249 0.768368
H 6.520460 2.732663 -0.737383
H 6.024815 1.130736 -1.355595
H 6.224292 1.393449 0.404611
H -0.369667 2.084946 -0.326681
H 2.380851 -1.216560 0.314562
H -1.892165 -1.906306 0.537545
H -0.430353 -3.713841 0.895686
H 1.104337 -3.263384 1.704704
H -3.527774 -1.160437 -0.869657
H -2.264860 2.617398 0.868445
H -5.873046 -0.322857 -0.986616
H -4.601763 3.472503 0.707657
H -6.428147 2.004575 -0.209093
H 1.098756 -5.107603 -1.825336


