%chk=000091583.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091583

0 1
 O    4.390200     -0.6831000      0.5777000    
 O    3.376800       2.657900     -7.6499999E-02
 O    4.412600      -1.040500      -1.713600    
 N    3.460000      0.3616000      0.3499000    
 C    2.050200      0.1345000      0.3427000    
 C  -0.6723000     -0.3020000      0.3311000    
 C    1.251900      0.9328000     -0.4492000    
 C    1.535200     -0.8745000       1.129000    
 C  -0.1253000      0.7121000     -0.4549000    
 C   0.1579000      -1.095300       1.123200    
 C   -2.108300     -0.5325000      0.3249000    
 C   -4.440300      0.1644000     -0.1136000    
 C   -2.983600      0.3883000     -7.6099999E-02
 C    4.006000       1.620300      0.1342000    
 C   -4.926300      -1.132700     -0.1281000    
 C   -5.293600       1.255200     -0.1336000    
 C   -6.304500      -1.344800     -0.1639000    
 C   -6.671800       1.043100     -0.1693000    
 C    5.517800       1.691200      0.1741000    
 C   -7.177100     -0.2571000     -0.1844000    
 C    4.783000      -1.306900     -0.5781000    
 C    5.761400      -2.392200     -0.2457000    
 H    1.633300       1.682300      -1.132800    
 H    2.169200      -1.495800       1.754400    
 H  -0.7196000       1.328700      -1.122600    
 H  -0.2504000      -1.888900       1.744400    
 H   -2.416000      -1.507100      0.6897000    
 H   -2.681300       1.384200     -0.3851000    
 H   -4.289300      -2.011000     -0.1406000    
 H   -4.915800       2.274100     -0.1206000    
 H   -6.698700      -2.356800     -0.1820000    
 H   -7.351600       1.889900     -0.1853000    
 H    5.829400       2.740400      0.1911000    
 H    5.940600       1.222900     -0.7178000    
 H    5.908400       1.213000       1.076400    
 H   -8.250100     -0.4221000     -0.2136000    
 H    6.071600      -2.894900      -1.166300    
 H    6.645400      -1.960700      0.2304000    
 H    5.290000      -3.128100      0.4106000    


%chk=000091583-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091583

0 1
O 4.400709 -0.619915 0.556521
O 3.732568 2.883835 0.014421
O 4.542820 -0.895022 -1.792643
N 3.608192 0.582199 0.310690
C 2.192466 0.359216 0.299423
C -0.633019 -0.137720 0.276495
C 1.290576 1.355924 -0.173030
C 1.676369 -0.877893 0.766980
C -0.089636 1.099458 -0.178298
C 0.290988 -1.113244 0.747436
C -2.068038 -0.450267 0.284558
C -4.528807 0.060035 -0.104229
C -3.091209 0.373380 -0.109619
C 4.334495 1.784249 0.173362
C -5.061540 -1.194250 0.320101
C -5.447952 1.056898 -0.545608
C -6.448996 -1.434153 0.302376
C -6.837591 0.817398 -0.563665
C 5.848843 1.664913 0.233223
C -7.347362 -0.431223 -0.139148
C 4.776927 -1.328990 -0.660030
C 5.456888 -2.613421 -0.254962
H 1.680435 2.314274 -0.515912
H 2.354646 -1.641675 1.154965
H -0.755157 1.884986 -0.551750
H -0.088861 -2.074962 1.113852
H -2.315351 -1.456829 0.651530
H -2.844244 1.381860 -0.471513
H -4.388203 -1.986798 0.664880
H -5.059727 2.028477 -0.876775
H -6.836417 -2.404835 0.632670
H -7.521640 1.601346 -0.907488
H 6.258938 2.685245 0.246482
H 6.237147 1.139970 -0.658406
H 6.184027 1.114787 1.128448
H -8.426018 -0.622420 -0.151392
H 6.253014 -2.852490 -0.977179
H 5.867403 -2.547668 0.763799
H 4.717317 -3.434778 -0.280462


