%chk=000158539.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158539

0 1
 O    5.244900      0.5156000      0.8927000    
 C   0.7810000     -0.7036000      0.1436000    
 C    1.638500      0.5031000     -0.3861000    
 C  -0.6998000     -0.4966000     -0.4026000    
 C    3.204200      0.3570000     -0.3395000    
 C    1.347200      -2.030800     -0.4218000    
 C    1.103800       1.827600      0.2022000    
 C    3.614200      -1.040600     -0.8643000    
 C   -1.198500      0.9379000     -0.2704000    
 C    2.849400      -2.186500     -0.2148000    
 C   -1.713700      -1.499300      0.1968000    
 C   0.7667000     -0.7880000       1.691500    
 C   -3.627100      0.1927000      4.1299999E-02
 C   -2.649400       1.189200     -0.6138000    
 C  -0.3830000       1.959600      4.4000000E-02
 C   -3.152100      -1.244700     -0.2591000    
 C    3.844300      0.5978000       1.042200    
 C    3.841400       1.403200      -1.293100    
 C   -3.731800      0.4475000       1.555700    
 C   -5.002800      0.3854000     -0.5503000    
 C   -6.077300     -0.3266000     -0.1940000    
 H    1.411100      0.5457000      -1.465600    
 H  -0.6774000     -0.6894000      -1.486500    
 H    1.141900      -2.089400      -1.499000    
 H   0.8410000      -2.891000      3.2200001E-02
 H    1.566600       2.672600     -0.3190000    
 H    1.354300       1.931100       1.262800    
 H    4.690100      -1.216600     -0.7467000    
 H    3.428200      -1.084400      -1.946800    
 H    3.089500      -2.257000      0.8510000    
 H    3.173700      -3.132000     -0.6661000    
 H   -1.701800      -1.469200       1.290500    
 H   -1.437500      -2.520500     -8.9299999E-02
 H   0.2197000      4.1499998E-02   2.149800    
 H   0.2933000      -1.715000       2.033900    
 H    1.760600     -0.8021000       2.129600    
 H   -2.938100       2.216900     -0.3538000    
 H   -2.733200       1.120200      -1.708300    
 H  -0.7853000       2.966100      0.1268000    
 H   -3.215900      -1.443900      -1.338000    
 H   -3.799600      -1.984100      0.2294000    
 H    3.563700     -0.1490000       1.780900    
 H    3.601900       1.589500       1.435500    
 H    4.909800       1.218300      -1.453800    
 H    3.368300       1.376100      -2.281600    
 H    3.739500       2.422200     -0.9051000    
 H   -4.190800       1.421800       1.764800    
 H   -4.330000     -0.3181000       2.063000    
 H   -2.749200      0.4523000       2.039400    
 H   -5.136600       1.151900      -1.310300    
 H    5.639700      0.6801000       1.765900    
 H   -7.037600     -0.1324000     -0.6602000    
 H   -6.034600      -1.108600      0.5552000    


%chk=000158539-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158539

0 1
O 5.329996 0.624644 0.823947
C 0.815724 -0.746438 0.185642
C 1.630438 0.497602 -0.346652
C -0.661429 -0.575445 -0.351958
C 3.209609 0.404228 -0.376663
C 1.409346 -2.057273 -0.414117
C 1.086521 1.792825 0.312610
C 3.645589 -0.986798 -0.930654
C -1.207797 0.848571 -0.205080
C 2.938078 -2.171590 -0.243455
C -1.665523 -1.602563 0.253223
C 0.806735 -0.830751 1.738600
C -3.667793 0.029069 0.028381
C -2.664120 1.055748 -0.599825
C -0.414996 1.900014 0.138718
C -3.105533 -1.403130 -0.265018
C 3.863164 0.637480 1.010189
C 3.754884 1.495493 -1.343935
C -3.804280 0.277349 1.547163
C -4.999940 0.163997 -0.700297
C -6.219579 0.425927 -0.167536
H 1.356542 0.566961 -1.424418
H -0.628010 -0.790040 -1.447491
H 1.181789 -2.086636 -1.501794
H 0.908937 -2.935696 0.038887
H 1.561341 2.681049 -0.147626
H 1.354101 1.834009 1.389691
H 4.743285 -1.072085 -0.833075
H 3.411351 -1.019118 -2.015373
H 3.205725 -2.215300 0.831119
H 3.292053 -3.123115 -0.686325
H -1.668739 -1.522548 1.354946
H -1.332981 -2.629921 0.009379
H 0.215089 -0.010568 2.183415
H 0.364266 -1.785371 2.075374
H 1.822384 -0.782764 2.163106
H -2.984672 2.086535 -0.354603
H -2.737256 0.957703 -1.706035
H -0.864203 2.899454 0.238366
H -3.129328 -1.574430 -1.362330
H -3.778749 -2.156344 0.188850
H 3.580209 -0.157364 1.727185
H 3.542743 1.618090 1.418543
H 4.844552 1.380953 -1.467430
H 3.273246 1.406300 -2.335873
H 3.571749 2.517968 -0.964609
H -4.257459 1.267144 1.741893
H -4.439821 -0.492137 2.023759
H -2.818559 0.266498 2.043312
H -4.928538 0.018416 -1.792298
H 5.767366 0.802946 1.692976
H -7.111805 0.493064 -0.800774
H -6.370302 0.580887 0.906768


