%chk=000172941.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000172941

0 1
 O   -1.017600       1.142900      -1.106000    
 C    1.299000     -0.6096000     -0.2931000    
 C    2.649700     -0.2097000      0.3877000    
 C   0.2446000      9.8300003E-02  0.6236000    
 C    2.314400       1.298400      0.2577000    
 C   0.9447000       1.434300      0.9640000    
 C    1.375300      0.1510000      -1.644900    
 C    2.046000       1.478400      -1.253900    
 C   -1.160400      0.2961000      4.5699999E-02
 C    1.049000      -2.096800     -0.4682000    
 C    3.928200     -0.6344000     -0.3652000    
 C    2.839400     -0.6889000       1.841500    
 C   -1.818500      -1.032900     -0.4137000    
 C   -2.043500       1.052500       1.054100    
 C   -3.253300     -0.7818000     -0.9205000    
 C   -3.467000       1.267800      0.5383000    
 C   -4.118000     -3.6800001E-02  9.3599997E-02
 C   -1.812200      -2.128800      0.6593000    
 H   0.1439000     -0.4604000       1.561400    
 H    3.069200       1.985900      0.6469000    
 H    1.077100       1.527000       2.048100    
 H   0.4305000       2.341400      0.6369000    
 H   0.4703000      0.2337000      -2.241100    
 H    2.046000     -0.3887000      -2.327300    
 H    2.976300       1.625400      -1.812700    
 H    1.403500       2.339700      -1.462700    
 H    1.933000      -2.543800     -0.9429000    
 H   0.9662000      -2.617400      0.4884000    
 H   0.2448000      -2.382200      -1.137500    
 H    4.069100      -1.719700     -0.3108000    
 H    3.954400     -0.3646000      -1.422300    
 H    4.807900     -0.1661000      9.2299998E-02
 H    3.748700     -0.2508000       2.270000    
 H    2.026600     -0.4310000       2.522500    
 H    2.948400      -1.778800       1.876300    
 H   -1.314500      -1.384500      -1.314400    
 H   -1.638200       2.042000       1.292200    
 H   -2.090400      0.4961000       1.998800    
 H   -3.733000      -1.733400      -1.180100    
 H   -3.213300     -0.1954000      -1.847700    
 H   -3.452600       1.972400     -0.3022000    
 H   -4.075000       1.730700       1.324200    
 H  -0.9967000       2.072700     -0.8266000    
 H   -4.314200     -0.6683000      0.9670000    
 H   -5.094700      0.1806000     -0.3544000    
 H   -2.086100      -3.089600      0.2089000    
 H  -0.8736000      -2.271100       1.184600    
 H   -2.551100      -1.924600       1.440800    


%chk=000172941-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000172941

0 1
O -1.285923 1.123083 -1.220835
C 1.369768 -0.640719 -0.364524
C 2.689790 -0.168633 0.410213
C 0.249220 0.079954 0.503565
C 2.358433 1.350285 0.229610
C 0.943577 1.457624 0.860616
C 1.526228 0.122720 -1.721951
C 2.192577 1.486179 -1.314244
C -1.230757 0.264229 0.001551
C 1.266424 -2.163224 -0.531033
C 4.014241 -0.602657 -0.266708
C 2.781909 -0.624589 1.889481
C -1.958717 -1.045165 -0.448050
C -2.062573 0.970387 1.120406
C -3.411815 -0.717631 -0.904168
C -3.517800 1.264357 0.684356
C -4.238570 -0.013697 0.197448
C -1.965316 -2.155633 0.632016
H 0.149284 -0.505902 1.438826
H 3.093740 2.049112 0.666425
H 0.987700 1.614816 1.953019
H 0.408826 2.336690 0.446764
H 0.553424 0.262184 -2.216152
H 2.174165 -0.452749 -2.408756
H 3.167489 1.632026 -1.812918
H 1.565405 2.359660 -1.576807
H 2.166503 -2.547087 -1.047592
H 1.194406 -2.683029 0.442902
H 0.393930 -2.462406 -1.136084
H 4.198032 -1.682714 -0.111577
H 4.038420 -0.412117 -1.351726
H 4.863762 -0.057195 0.187236
H 3.704429 -0.223617 2.351215
H 1.934022 -0.297137 2.513049
H 2.837815 -1.728134 1.951533
H -1.415286 -1.423618 -1.335566
H -1.565833 1.916891 1.409506
H -2.064092 0.330429 2.025767
H -3.909698 -1.658176 -1.214174
H -3.361430 -0.058790 -1.789712
H -3.500599 2.001484 -0.141634
H -4.070826 1.726641 1.525690
H -0.804892 1.967006 -1.023035
H -4.401023 -0.699434 1.053428
H -5.242367 0.242890 -0.193409
H -2.476641 -3.052562 0.235293
H -0.950026 -2.458139 0.933845
H -2.507032 -1.846693 1.543497


