%chk=000029994.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029994

0 1
 O   0.9781000     -0.1225000      8.9999998E-04
 O  -0.4613000     -0.2991000      -1.767500    
 N    3.721500     -0.8576000      0.3337000    
 N   -1.218400     -0.1535000      0.4429000    
 C    3.323400      0.5038000     -2.7300000E-02
 C    1.992700      0.4887000     -0.7969000    
 C    3.239100       1.387000       1.225500    
 C    1.556100       1.914100      -1.149700    
 C    2.794500       2.805300      0.8698000    
 C    1.484700       2.813100      8.6000003E-02
 C    5.030200     -0.8507000      0.9855000    
 C    3.744300      -1.713600     -0.8516000    
 C    5.445100      -2.252500       1.398900    
 C    4.701800      -1.173800      -1.900200    
 C  -0.2711000     -0.2016000     -0.5613000    
 C   -2.625200     -0.2044000      0.3155000    
 C   -3.340200      0.9752000      0.1630000    
 C   -3.270100      -1.432900      0.3447000    
 C   -4.728500      0.9254000      3.7000000E-02
 C   -4.658300      -1.482700      0.2187000    
 C   -5.387500     -0.3036000      6.4900003E-02
 C   -2.662600       2.306800      0.1295000    
 C   -2.516400      -2.713000      0.5090000    
 C   -6.871700     -0.3578000     -7.1000002E-02
 H    4.081600      0.9768000     -0.6660000    
 H    2.074100     -4.2700000E-02  -1.750600    
 H    2.542400      0.9579000       1.956900    
 H    4.206700       1.498900       1.723700    
 H    2.283300       2.342000      -1.852100    
 H   0.5876000       1.946500      -1.657800    
 H    2.677400       3.395700       1.785700    
 H    3.575900       3.293900      0.2744000    
 H    1.249000       3.838500     -0.2211000    
 H   0.6676000       2.483800      0.7389000    
 H    4.969300     -0.3135000       1.936900    
 H    5.823300     -0.3633000      0.4085000    
 H    2.746800      -1.863900      -1.276700    
 H    4.029600      -2.739800     -0.5953000    
 H    4.630100      -2.790900       1.895200    
 H    5.806300      -2.848900      0.5555000    
 H    6.274600      -2.193600       2.113000    
 H    4.391900     -0.2227000      -2.340900    
 H    5.735900      -1.089300      -1.556800    
 H    4.728000      -1.885000      -2.735500    
 H  -0.8746000     -6.1799999E-02   1.395500    
 H   -5.301400       1.841600     -8.6000003E-02
 H   -5.176800      -2.438500      0.2369000    
 H   -2.020100       2.386200     -0.7534000    
 H   -3.383100       3.130800      8.6800002E-02
 H   -2.058800       2.454400       1.031100    
 H   -1.872600      -2.890400     -0.3586000    
 H   -1.902800      -2.685500       1.415600    
 H   -3.188200      -3.573300      0.6016000    
 H   -7.149000     -0.4555000      -1.125300    
 H   -7.339400      0.5468000      0.3324000    
 H   -7.288400      -1.206600      0.4820000    


%chk=000029994-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029994

0 1
O 0.971902 0.778519 0.071251
O -0.330822 0.046601 -1.760090
N 3.522474 -0.683623 0.562432
N -1.193190 0.249196 0.437998
C 3.423918 0.700829 0.003941
C 2.150179 0.953582 -0.836752
C 3.508791 1.775512 1.124615
C 2.122321 2.380989 -1.421814
C 3.507669 3.210422 0.543229
C 2.256572 3.463397 -0.329107
C 4.896674 -0.985871 1.048266
C 2.943141 -1.775606 -0.264876
C 4.986666 -2.273162 1.890087
C 3.672237 -2.115099 -1.596753
C -0.215875 0.325536 -0.539463
C -2.566724 -0.121781 0.233845
C -3.573005 0.785326 0.678572
C -2.912865 -1.379988 -0.336922
C -4.930436 0.424806 0.523457
C -4.287569 -1.686078 -0.488427
C -5.311058 -0.801544 -0.074013
C -3.194740 2.116449 1.304942
C -1.861092 -2.389451 -0.749337
C -6.775383 -1.151254 -0.276393
H 4.268873 0.894783 -0.713655
H 2.041364 0.225552 -1.659221
H 2.643063 1.630584 1.796681
H 4.420405 1.629617 1.730773
H 2.959894 2.470075 -2.143632
H 1.187597 2.506998 -1.998659
H 3.555592 3.946802 1.368447
H 4.420428 3.360057 -0.071452
H 2.304531 4.465544 -0.796528
H 1.354226 3.445380 0.312645
H 5.222270 -0.144165 1.683723
H 5.634120 -1.041917 0.205861
H 1.888359 -1.531238 -0.475327
H 2.911997 -2.683753 0.364440
H 4.231403 -2.254432 2.695929
H 4.829636 -3.185836 1.288082
H 5.988590 -2.350518 2.351307
H 3.719249 -1.243453 -2.275341
H 4.706357 -2.463825 -1.420935
H 3.130814 -2.921299 -2.125830
H -0.914991 0.611005 1.353136
H -5.706236 1.121750 0.864937
H -4.561857 -2.653071 -0.929066
H -2.474930 2.669259 0.673199
H -4.085939 2.750756 1.445149
H -2.724255 1.992138 2.301527
H -1.377708 -2.087515 -1.696192
H -1.057693 -2.463958 0.007559
H -2.308234 -3.389373 -0.881625
H -7.135515 -0.799203 -1.262930
H -7.415308 -0.682964 0.492289
H -6.939486 -2.242787 -0.239475


