%chk=000071987.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071987

0 1
 O    3.679000      -1.199200      0.3569000    
 O   -3.677400      -1.914800      0.1620000    
 O    2.625500      0.3624000       1.680100    
 N  -0.5536000       2.590500      0.1881000    
 N    1.519200     -0.1068000      -2.955900    
 C    1.640400     -0.2513000     -0.4752000    
 C   0.5480000      0.7023000     -0.1963000    
 C  -0.8280000      0.3862000     -1.8900000E-02
 C   -1.497000       1.588500      0.2209000    
 C    2.412800     -4.4000000E-03  -1.805200    
 C   0.6854000       2.064700     -6.3400000E-02
 C   -1.571000     -0.8108000     -3.9200000E-02
 C    2.681400     -0.3141000      0.6613000    
 C   -2.877100       1.653700      0.4422000    
 C   -2.952300     -0.7608000      0.1803000    
 C   -3.593300      0.4536000      0.4172000    
 C    4.721500      -1.315700       1.330600    
 C   -2.963500      -3.124100     -8.5600004E-02
 H    1.221700      -1.266500     -0.5178000    
 H    2.876400      0.9890000      -1.797800    
 H    3.218900     -0.7335000      -1.940000    
 H    1.550800       2.710000     -0.1250000    
 H  -0.7482000       3.572200      0.3292000    
 H   -1.026600      -1.727400     -0.2277000    
 H   -3.377100       2.598600      0.6266000    
 H   -4.667400      0.4760000      0.5862000    
 H    1.108800      -1.039200      -2.988400    
 H    2.059100     -8.9999998E-04  -3.813700    
 H    5.228300     -0.3546000       1.459400    
 H    5.446400      -2.048500      0.9662000    
 H    4.313100      -1.668900       2.282200    
 H   -3.693800      -3.939700     -6.4900003E-02
 H   -2.233600      -3.330900      0.7046000    
 H   -2.510500      -3.128500      -1.082900    


%chk=000071987-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000071987

0 1
O 3.528105 -1.155555 1.071690
O -3.722546 -1.873872 -0.266693
O 3.766204 1.032863 0.318980
N -0.395456 2.535000 0.579128
N 0.964850 -0.755424 -2.711637
C 1.827152 -0.328109 -0.419736
C 0.723065 0.641335 -0.037656
C -0.697988 0.339179 0.024062
C -1.374466 1.544904 0.417576
C 2.138710 -0.291343 -1.956574
C 0.864219 1.990619 0.303943
C -1.451747 -0.843705 -0.222508
C 3.112917 -0.038398 0.341202
C -2.778087 1.595186 0.580176
C -2.849654 -0.785055 -0.056375
C -3.508544 0.420223 0.341803
C 4.789213 -0.988356 1.836681
C -3.114474 -3.140733 -0.670612
H 1.512283 -1.358193 -0.181375
H 2.478223 0.740227 -2.205769
H 2.978256 -0.981530 -2.167345
H 1.774963 2.581103 0.376992
H -0.568587 3.495452 0.865749
H -0.943122 -1.754499 -0.549688
H -3.291845 2.514777 0.881231
H -4.596860 0.397071 0.451281
H 1.156369 -0.987061 -3.689976
H 0.139647 -0.156918 -2.602964
H 5.620184 -0.739574 1.155244
H 4.951001 -1.959507 2.324784
H 4.678446 -0.181705 2.580679
H -3.953532 -3.843952 -0.780507
H -2.411500 -3.514760 0.100114
H -2.579098 -3.042587 -1.635799


