%chk=000041939.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041939

0 1
 O    2.271300       1.242600      -1.218900    
 N    2.487900      0.3681000      0.9287000    
 C  -0.4485000     -0.2026000     -0.3038000    
 C   0.3046000      0.8641000      4.9300000E-02
 C   -1.917800     -0.2430000     -0.1173000    
 C   0.1093000      -1.447600     -0.9462000    
 C    1.787500      0.8651000     -0.1559000    
 C  -0.2105000       2.138100      0.6545000    
 C   -2.735300      0.2113000      -1.134300    
 C   -2.430000     -0.7337000       1.068300    
 C   -4.118500      0.1736000     -0.9588000    
 C   -3.813300     -0.7713000       1.243600    
 C    3.916900      0.2360000      0.9247000    
 C   -4.657500     -0.3177000      0.2301000    
 C    4.345600      -1.103800      0.4105000    
 C    5.108300      -1.279200     -0.6746000    
 H  -7.2899997E-02  -2.319500     -0.3081000    
 H  -0.3684000      -1.626500      -1.916100    
 H    1.186500      -1.400700      -1.127000    
 H   0.2262000       2.288400       1.647600    
 H   -1.297200       2.160000      0.7698000    
 H   6.6100001E-02   2.992000      2.6500000E-02
 H   -2.326400      0.5963000      -2.064400    
 H   -1.781800      -1.089500       1.864400    
 H    1.980600      5.7599999E-02   1.752700    
 H   -4.775900      0.5269000      -1.747800    
 H   -4.233200      -1.153800       2.169400    
 H    4.258600      0.3524000       1.958500    
 H    4.352700       1.050700      0.3355000    
 H   -5.734600     -0.3471000      0.3667000    
 H    4.019200      -1.980400      0.9643000    
 H    5.388300      -2.277200     -0.9936000    
 H    5.463200     -0.4386000      -1.260300    


%chk=000041939-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041939

0 1
O 2.361201 1.652733 -0.988252
N 2.530805 0.252229 0.867316
C -0.437877 -0.223212 -0.037486
C 0.295279 0.931259 0.088449
C -1.939708 -0.230021 0.024327
C 0.177657 -1.588123 -0.332253
C 1.801967 0.958281 -0.082365
C -0.274763 2.319456 0.333124
C -2.715392 0.571151 -0.858064
C -2.623978 -1.091198 0.925246
C -4.126794 0.525393 -0.829708
C -4.035240 -1.131424 0.961992
C 4.006465 0.173830 0.829189
C -4.794002 -0.323151 0.083534
C 4.512381 -1.155749 0.290305
C 5.209686 -1.289475 -0.864589
H -0.040090 -2.312739 0.477022
H -0.271283 -2.007824 -1.252188
H 1.268743 -1.542443 -0.473679
H 0.253856 2.810310 1.172831
H -1.350315 2.293100 0.565325
H -0.113949 2.959098 -0.554630
H -2.204054 1.216408 -1.581170
H -2.049024 -1.721838 1.614005
H 2.016846 -0.261726 1.584958
H -4.703782 1.147154 -1.523656
H -4.541985 -1.793259 1.673604
H 4.395886 0.348117 1.851554
H 4.345362 1.000383 0.181869
H -5.888886 -0.358371 0.107408
H 4.284005 -2.048027 0.894078
H 5.558297 -2.267283 -1.216792
H 5.443687 -0.422039 -1.493305


