%chk=000158485.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158485

0 1
 O    2.441200     -0.8950000      -2.307500    
 O    3.218900       1.981400     -6.7199998E-02
 O  -0.8148000      -3.475400      0.5342000    
 O   -1.217100       1.833200      2.1800000E-02
 O    3.494500       3.241300       1.839800    
 N    3.715500      -1.168300       1.225700    
 N    1.435000      -1.880600     -0.3949000    
 N   -3.393500      0.5528000       1.003200    
 N    5.048500       3.293500      0.1459000    
 N   -4.516700      0.5048000      -1.088700    
 N   -5.737300       1.044600      -1.595900    
 C    3.589200     -0.9644000     -0.2153000    
 C    2.268800     -0.7643000     -0.8960000    
 C    3.579600      -2.339200      0.3769000    
 C    2.222900      -2.956800      0.1920000    
 C    1.412900      0.5081000     -0.5916000    
 C   0.1949000      -1.423200     -1.8900000E-02
 C   0.1026000     -9.8800004E-02 -0.1303000    
 C    1.997600       1.471200      0.4361000    
 C  -0.9127000      -2.255600      0.4565000    
 C   -1.134400      0.6194000      0.1818000    
 C    3.102900      0.2355000      -2.852400    
 C   -2.175000      -1.533300      0.8280000    
 C   -2.287300     -0.1932000      0.7001000    
 C   -3.269100      -2.434800       1.335700    
 C    3.884000       2.870400      0.7375000    
 C   -4.393000      0.8513000      0.1590000    
 C   -5.546300       1.677900      0.6265000    
 C   -6.311800       1.697400     -0.6420000    
 H    4.480400     -0.6313000     -0.7216000    
 H    4.429500      -2.993100      0.2735000    
 H    2.836400     -0.9834000       1.705400    
 H    2.274400      -3.801500     -0.5019000    
 H    1.818800      -3.299400       1.150300    
 H    1.186500       1.074400      -1.500500    
 H    2.145100      0.9994000       1.412500    
 H    1.309400       2.312400      0.5846000    
 H    3.854100      0.6924000      -2.205900    
 H    2.378600      0.9881000      -3.176400    
 H    3.618600     -9.9500000E-02  -3.758200    
 H   -4.168900      -1.882500       1.623400    
 H   -2.929700      -2.986200       2.218900    
 H   -3.558500      -3.154900      0.5631000    
 H   -3.378300      0.9723000       1.928600    
 H    5.328500       2.956400     -0.7691000    
 H    5.665000       3.955200      0.6055000    
 H   -5.239000       2.683600      0.9166000    
 H   -6.109900       1.184100       1.419200    
 H   -7.270600       2.224500     -0.7316000    


%chk=000158485-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158485

0 1
O 2.670809 -0.833979 -2.258447
O 3.379893 2.143196 -0.044297
O -0.817350 -3.381839 0.450281
O -1.175112 2.091543 0.041246
O 3.636981 3.376276 1.950691
N 3.449482 -1.420190 1.469731
N 1.440505 -1.773515 -0.482571
N -3.382920 0.814378 0.468886
N 5.219036 3.463556 0.216364
N -5.316523 -0.451878 -0.274474
N -6.768632 -0.192980 -0.326863
C 3.619220 -1.017382 0.016561
C 2.379004 -0.662575 -0.820794
C 3.496472 -2.489682 0.397842
C 2.152920 -3.021292 -0.130722
C 1.547387 0.654048 -0.563342
C 0.207162 -1.285305 -0.138806
C 0.171927 0.105824 -0.197898
C 2.096956 1.618327 0.495569
C -0.965919 -2.121199 0.291447
C -1.045824 0.804950 0.042313
C 3.729454 0.039534 -2.792664
C -2.242584 -1.421890 0.542690
C -2.288042 -0.043473 0.338729
C -3.382871 -2.256094 1.068964
C 4.054095 3.038999 0.818055
C -4.737757 0.628851 0.271746
C -5.741706 1.722883 0.609872
C -7.000901 1.019207 0.154611
H 4.566006 -0.530022 -0.216683
H 4.351703 -3.167292 0.438427
H 2.482342 -1.267755 1.821442
H 2.311717 -3.642625 -1.030759
H 1.563878 -3.599469 0.598867
H 1.490494 1.203286 -1.522109
H 2.289164 1.133326 1.468322
H 1.393184 2.454190 0.646745
H 4.736472 -0.330440 -2.518414
H 3.614767 1.083880 -2.443763
H 3.612881 -0.005950 -3.886568
H -3.724350 -1.879336 2.052536
H -3.054563 -3.300529 1.183829
H -4.259543 -2.203511 0.395324
H -3.040533 1.798088 0.492441
H 5.470485 3.149191 -0.717128
H 5.813395 4.115447 0.720389
H -5.561023 2.665374 0.057975
H -5.755835 1.965042 1.689168
H -8.015402 1.421703 0.191635


