%chk=000053714.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053714

0 1
 O   -4.541000      -1.005300      7.3399998E-02
 O   -2.983300      -2.208400      -1.102700    
 O  -0.2192000       1.623600      -1.167400    
 N   -1.145500     -0.2375000     -0.1330000    
 C   -4.645700      0.3310000      0.6005000    
 C   -3.200600      0.7885000      0.7396000    
 C   -2.514300      7.8100003E-02 -0.4065000    
 C   -5.441700       1.185200     -0.3891000    
 C   -5.358200      0.2725000       1.948100    
 C   -3.323600      -1.184700     -0.5304000    
 C  -9.7400002E-02  0.5746000     -0.5430000    
 C    1.227600      2.6600000E-02 -0.1373000    
 C    2.349100      0.6950000     -0.4433000    
 C    3.709400      0.2552000     -8.6000003E-02
 C    3.931600      -1.076100      0.2268000    
 C    4.739700       1.181500     -6.9799997E-02
 C    5.219100      -1.492500      0.5653000    
 C    6.027200      0.7649000      0.2687000    
 C    6.266800     -0.5721000      0.5862000    
 H   -2.778800      0.4509000       1.696100    
 H   -3.079800       1.876000      0.7003000    
 H   -2.602300      0.6454000      -1.339500    
 H   -5.527500       2.220600     -4.4000000E-02
 H   -4.980600       1.189000      -1.382600    
 H   -6.451000      0.7796000     -0.5237000    
 H   -4.839000     -0.4026000       2.637800    
 H   -5.422700       1.262200       2.411400    
 H   -6.372600     -0.1268000       1.835100    
 H  -0.9475000      -1.084700      0.3925000    
 H    1.226800     -0.9010000      0.4232000    
 H    2.293800       1.637100     -0.9840000    
 H    3.152400      -1.831100      0.2020000    
 H    4.568700       2.226600     -0.3133000    
 H    5.407500      -2.534400      0.8076000    
 H    6.843300       1.481400      0.2851000    
 H    7.269500     -0.8966000      0.8486000    


%chk=000053714-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053714

0 1
O -4.745342 -0.978115 0.045881
O -3.162203 -2.474533 -0.770934
O -0.363756 1.635500 -0.380765
N -1.182871 -0.515715 -0.086740
C -4.747813 0.477836 0.549472
C -3.234758 0.786630 0.735644
C -2.554365 -0.092723 -0.339977
C -5.413306 1.327351 -0.546056
C -5.547194 0.466592 1.854211
C -3.476386 -1.325165 -0.408198
C -0.135905 0.396573 -0.175154
C 1.221782 -0.185796 -0.004648
C 2.328627 0.612938 -0.075350
C 3.736510 0.215199 0.062342
C 4.151561 -1.128629 0.298110
C 4.740088 1.220810 -0.045868
C 5.517040 -1.449131 0.420248
C 6.108225 0.900519 0.076239
C 6.502851 -0.436900 0.310118
H -2.895075 0.468074 1.737432
H -2.999110 1.853089 0.604624
H -2.597092 0.439297 -1.313571
H -5.528514 2.369506 -0.197717
H -4.815850 1.341575 -1.474559
H -6.412995 0.926220 -0.784490
H -5.114767 -0.251411 2.571618
H -5.529614 1.472368 2.312241
H -6.598328 0.185593 1.669922
H -1.007051 -1.525099 -0.060840
H 1.297346 -1.266249 0.175445
H 2.131450 1.680042 -0.258405
H 3.403988 -1.924973 0.384960
H 4.435580 2.258700 -0.227898
H 5.819179 -2.486718 0.600851
H 6.863860 1.688824 -0.010805
H 7.564408 -0.690379 0.405313


