%chk=000076807.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076807

0 1
 O  -0.2077000     -0.5245000      -1.871600    
 O    1.015200      -2.626200      0.6668000    
 O    3.149500      -2.673800     -7.8100003E-02
 N   0.6847000     -3.1399999E-02  0.2144000    
 N   -1.841800       1.737000      -1.077000    
 C    3.091300      0.2697000      0.7117000    
 C    2.015900     -0.5365000     -3.2200001E-02
 C   -2.817000     -0.4023000     -0.3494000    
 C    3.082400       1.806000      0.5426000    
 C   -1.622100      0.5579000     -0.2352000    
 C   -4.147500      0.1639000      0.1920000    
 C  -0.3252000     -6.8300001E-02 -0.7356000    
 C    3.244300       2.151200     -0.9427000    
 C    1.824500       2.479700       1.086000    
 C   -3.979400      0.5589000       1.662000    
 C   -5.305000     -0.8260000      5.4099999E-02
 C    2.137900      -2.035400      0.1923000    
 H    3.007600      4.9300000E-02   1.785100    
 H    4.079800     -0.1077000      0.4162000    
 H    2.189700     -0.4216000      -1.110300    
 H   -2.572900      -1.330500      0.1850000    
 H   -2.957200     -0.6968000      -1.398700    
 H    3.946900       2.201400       1.090800    
 H   -1.486900      0.8827000      0.8002000    
 H   -4.424900       1.058700     -0.3774000    
 H   0.4541000      0.2312000       1.167700    
 H    3.375700       3.231900      -1.066900    
 H    2.371700       1.858100      -1.535200    
 H    4.127600       1.660600      -1.365000    
 H    2.017400       3.550600       1.223100    
 H    1.545400       2.077100       2.064800    
 H   0.9711000       2.415300      0.4075000    
 H   -4.946100      0.8314000       2.100500    
 H   -3.330600       1.432000       1.777200    
 H   -3.565600     -0.2642000       2.254300    
 H   -5.113800      -1.740700      0.6254000    
 H   -6.241200     -0.3878000      0.4158000    
 H   -5.449000      -1.106100     -0.9946000    
 H   -1.054200       2.377400     -0.9796000    
 H   -2.656000       2.252400     -0.7465000    
 H    1.127300      -3.594800      0.7735000    


%chk=000076807-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000076807

0 1
O -0.001950 1.157419 -1.570967
O 0.909704 -2.455094 1.148054
O 2.675577 -2.734482 -0.334929
N 0.440244 0.047715 0.426451
N -2.193264 2.368814 -0.432745
C 2.970872 0.185266 0.738942
C 1.748655 -0.466681 0.009545
C -2.717633 -0.135901 -0.250794
C 3.340541 1.639667 0.322959
C -1.787266 1.071572 0.120979
C -4.178794 -0.002703 0.255718
C -0.374904 0.774122 -0.416180
C 3.580857 1.770078 -1.200952
C 2.342726 2.715249 0.818502
C -4.265724 0.030474 1.800835
C -5.040935 -1.155244 -0.313469
C 1.842456 -1.980514 0.206731
H 2.790333 0.145767 1.832494
H 3.845620 -0.461609 0.529055
H 1.837192 -0.271225 -1.074111
H -2.287187 -1.073673 0.161719
H -2.718758 -0.233496 -1.355051
H 4.308998 1.833163 0.833740
H -1.733738 1.140424 1.227568
H -4.597967 0.949767 -0.136239
H 0.079529 -0.254453 1.333487
H 4.017067 2.758129 -1.437222
H 2.631195 1.687071 -1.761152
H 4.278180 0.994791 -1.571779
H 2.771939 3.724434 0.673850
H 2.117793 2.595889 1.895305
H 1.393015 2.679717 0.259449
H -5.318013 0.106208 2.131697
H -3.719289 0.888928 2.232249
H -3.842905 -0.896676 2.234782
H -4.664750 -2.135631 0.037972
H -6.094340 -1.062728 0.010563
H -5.022731 -1.163227 -1.419088
H -1.793617 2.533436 -1.364082
H -3.190911 2.579315 -0.361728
H 1.038082 -3.434281 1.270842


