%chk=000040083.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040083

0 1
 O    2.849900       1.166600     -5.4000001E-03
 O    1.926900       3.252300      3.8899999E-02
 O   -1.795400       1.758800      4.6599999E-02
 O  -0.4354000       3.491100      5.5599999E-02
 N   -1.035200     -0.5100000      1.2900000E-02
 N   -3.837500     -0.6029000      8.9599997E-02
 N  -0.6741000       2.278600      4.4000000E-02
 C   -1.711000     -0.8505000       1.267300    
 C   -1.699500     -0.9213000      -1.219900    
 C   -3.099100      -1.448800       1.024600    
 C   -3.172600     -0.4932000      -1.216200    
 C   0.1977000      7.6800004E-02  1.1500000E-02
 C    1.392600     -0.8064000     -7.3000002E-03
 C   -5.227000      -1.024000     -4.7100000E-02
 C   0.4494000       1.396600      2.4900001E-02
 C    2.668400     -0.2310000     -1.6600000E-02
 C    1.334500      -2.210400     -1.4600000E-02
 C    1.773200       2.036700      2.1400001E-02
 C    3.840800     -0.9929000     -3.5100002E-02
 C    2.500800      -2.987100     -3.2200001E-02
 C    3.752500      -2.379100     -4.2900000E-02
 H   -1.801800      3.7599999E-02   1.905000    
 H   -1.109400      -1.577500       1.826400    
 H   -1.628800      -2.012100      -1.317000    
 H   -1.203900     -0.4940000      -2.100700    
 H   -3.014600      -2.475200      0.6437000    
 H   -3.620300      -1.505900       1.987900    
 H   -3.267500      0.5410000      -1.565900    
 H   -3.680900      -1.107100      -1.972200    
 H   -5.311700      -2.038800     -0.4518000    
 H   -5.773300     -0.3407000     -0.7068000    
 H   -5.735300     -0.9974000      0.9231000    
 H   0.3818000      -2.733800     -4.4000000E-03
 H    4.814500     -0.5116000     -4.1999999E-02
 H    2.425500      -4.071000     -3.7200000E-02
 H    4.653600      -2.984600     -5.6499999E-02


%chk=000040083-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040083

0 1
O 2.983013 0.928458 0.356078
O 2.356248 3.005120 1.101649
O -1.195021 2.635807 -0.419280
O -0.430911 3.263195 1.638012
N -1.104750 -0.310450 0.124728
N -4.021759 -0.840579 -0.148427
N -0.405078 2.495389 0.605942
C -2.152682 0.297705 1.000552
C -1.660493 -1.195250 -0.948921
C -3.325441 -0.682002 1.155601
C -3.087044 -0.700871 -1.299033
C 0.220231 0.104780 0.155039
C 1.319301 -0.840375 -0.134720
C -4.890987 -2.029830 -0.182486
C 0.589356 1.413487 0.547734
C 2.663844 -0.365551 -0.052563
C 1.152355 -2.231986 -0.410303
C 1.961365 1.886447 0.738996
C 3.774601 -1.194820 -0.324709
C 2.248997 -3.068425 -0.670733
C 3.567970 -2.544908 -0.649046
H -2.543054 1.242568 0.575950
H -1.699008 0.520325 1.981785
H -1.733573 -2.248018 -0.608626
H -1.000837 -1.157228 -1.831785
H -2.943395 -1.657994 1.550579
H -4.029671 -0.279175 1.907761
H -3.031726 0.354409 -1.625770
H -3.470442 -1.290988 -2.150472
H -4.340604 -3.000873 -0.079135
H -5.462922 -2.053213 -1.125977
H -5.618837 -1.972303 0.647137
H 0.155905 -2.671935 -0.399359
H 4.775159 -0.759388 -0.253585
H 2.083197 -4.129598 -0.880912
H 4.424491 -3.193128 -0.860104


