%chk=000129287.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129287

0 1
 O  -0.5436000       3.544100     -0.1557000    
 O   2.0199999E-02   1.748400      -1.425200    
 N    1.872200      -1.614800      0.6945000    
 N   -2.528700      -2.068200      -1.189900    
 C   0.9968000     -0.6317000      0.9767000    
 C  -0.3672000     -0.9888000       1.547800    
 C    1.515600      0.5761000      0.6849000    
 C    2.823200      0.3361000      0.1778000    
 C   -1.413900      -1.218900      0.5314000    
 C    3.021900      -1.046200      0.1944000    
 C   -2.632400     -0.4975000      0.3909000    
 C   0.8720000       1.896000      0.8513000    
 C   -3.313000      -1.050300     -0.6961000    
 C   -1.379000      -2.177800     -0.4547000    
 C    3.860100       1.164600     -0.2952000    
 C    4.210500      -1.643600     -0.2402000    
 C   -3.223500      0.5760000       1.086300    
 C   -4.560100     -0.5814000      -1.124100    
 C    5.054600      0.5810000     -0.7331000    
 C    5.224900     -0.8017000     -0.7051000    
 C   8.7099999E-02   2.358800     -0.3671000    
 C   -4.470600       1.055600      0.6695000    
 C   -5.126900      0.4843000     -0.4190000    
 H  -0.6697000     -0.2056000       2.252400    
 H  -0.2662000      -1.896200       2.159900    
 H    1.723700      -2.607100      0.8217000    
 H    1.631000       2.658700       1.062000    
 H   0.1837000       1.879500       1.703800    
 H  -0.6433000      -2.930800     -0.7013000    
 H    3.744000       2.244200     -0.3255000    
 H   -2.768000      -2.650300      -1.980600    
 H    4.343900      -2.720000     -0.2188000    
 H   -2.727100       1.036000       1.935800    
 H   -5.071700      -1.025400      -1.971400    
 H    5.857700       1.215200      -1.099300    
 H    6.160800      -1.233800      -1.050000    
 H   -4.930900       1.883900       1.201700    
 H   -6.094700      0.8727000     -0.7258000    
 H   -1.048300       3.834800     -0.9451000    


%chk=000129287-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129287

0 1
O 2.532160 3.103721 -2.461126
O 0.258505 3.020293 -2.007854
N 0.780516 -0.605563 0.988023
N -3.276971 0.081808 -1.521752
C 0.541208 0.759324 0.762339
C -0.823544 1.358615 1.014086
C 1.713723 1.344368 0.268333
C 2.714026 0.295314 0.171049
C -1.916487 0.681202 0.210780
C 2.096821 -0.922008 0.632222
C -2.727661 -0.448025 0.630885
C 1.888700 2.789546 -0.148655
C -3.575793 -0.804155 -0.480456
C -2.275883 0.971967 -1.104576
C 4.065826 0.260925 -0.261210
C 2.789083 -2.150818 0.673826
C -2.827146 -1.194312 1.837652
C -4.499881 -1.869688 -0.413422
C 4.762441 -0.963508 -0.220740
C 4.132022 -2.156344 0.241550
C 1.440156 2.987417 -1.592308
C -3.745757 -2.260104 1.908030
C -4.572056 -2.594984 0.793974
H -0.781777 2.430348 0.757831
H -1.069622 1.298864 2.094104
H 0.058341 -1.270858 1.263086
H 2.942301 3.097351 -0.053951
H 1.275700 3.459240 0.480101
H -1.864732 1.734725 -1.764402
H 4.557890 1.167532 -0.631246
H -3.715474 0.082939 -2.439826
H 2.307175 -3.069574 1.026451
H -2.215802 -0.933314 2.710954
H -5.140587 -2.130223 -1.263549
H 5.805981 -1.005659 -0.552640
H 4.700326 -3.093100 0.259266
H -3.836287 -2.840964 2.832733
H -5.277441 -3.428965 0.879784
H 2.205104 3.172568 -3.399746


