%chk=000123986.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123986

0 1
 O   -2.383000      0.8016000      0.1366000    
 O  -0.1357000      0.6604000      0.7518000    
 O   -2.776400      -3.313000      0.3432000    
 O  -0.1576000      -2.107000      0.1116000    
 O   -4.199900      -1.102400       1.246600    
 O   -4.285700       2.486500     -0.9029000    
 O    5.561600      8.6700000E-02  0.9742000    
 O    5.357500      -1.983000      6.6399999E-02
 N    1.629000       3.902600      0.2772000    
 N    3.429800      -1.236100      -1.630100    
 C   -2.540600      -2.036100     -0.2436000    
 C   -1.341800      -1.381400      0.4419000    
 C   -3.788900      -1.161600     -0.1207000    
 C   -1.172000      6.4999998E-02 -2.8400000E-02
 C   -3.478100      0.2572000     -0.6104000    
 C   0.5550000       1.669200      1.2100000E-02
 C   -4.661200       1.202400     -0.4381000    
 C    1.681100       1.007700     -0.7953000    
 C    2.772800      0.3844000      8.1900001E-02
 C   0.9874000       2.787900      0.9676000    
 C    3.932000     -0.1824000     -0.7514000    
 C    5.014700     -0.8086000      0.1099000    
 H   -2.305500      -2.209500      -1.301300    
 H   -1.447800      -1.422100       1.532900    
 H   -4.619300      -1.596600     -0.6881000    
 H  -0.8994000      5.9900001E-02  -1.092200    
 H   -3.189300      0.2446000      -1.669700    
 H  -0.1433000       2.129800     -0.7028000    
 H   -4.952300       1.308100      0.6119000    
 H   -5.528200      0.8623000      -1.012100    
 H    1.246500      0.2363000      -1.438200    
 H    2.134500       1.753100      -1.460000    
 H    3.180300       1.139800      0.7624000    
 H    2.344500     -0.4018000      0.7168000    
 H   0.1018000       3.160700       1.497200    
 H    1.649000       2.400800       1.749500    
 H   -3.543500      -3.704600     -0.1081000    
 H  -0.2941000      -3.028200      0.3917000    
 H   -4.351800      -2.016000       1.543400    
 H    4.398400      0.6000000      -1.360900    
 H   -3.509900       2.770000     -0.3895000    
 H   0.9878000       4.292900     -0.4120000    
 H    1.820600       4.648100      0.9450000    
 H    2.807400     -0.8395000      -2.332400    
 H    4.204900      -1.639400      -2.156500    
 H    6.252300     -0.3239000       1.537000    


%chk=000123986-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123986

0 1
O -2.217433 0.839268 -0.162777
O -0.138555 0.974671 0.912171
O -2.407936 -3.240103 0.710888
O 0.115782 -1.894305 0.862609
O -4.275327 -1.187643 0.717894
O -3.994390 2.275001 -1.756251
O 5.446282 -0.528186 -0.114806
O 4.228652 -2.501325 0.005915
N 1.624751 4.251111 0.999616
N 2.022427 -1.262394 -1.408252
C -2.120007 -2.042965 -0.122604
C -1.164279 -1.188302 0.727591
C -3.437968 -1.314853 -0.472026
C -0.906598 0.164181 0.039442
C -3.127464 0.081832 -1.048207
C 0.574915 2.124995 0.275905
C -4.366886 0.975304 -1.192367
C 1.720077 1.647784 -0.640063
C 2.681652 0.640298 0.039717
C 1.039923 2.982244 1.472534
C 3.161843 -0.454554 -0.960508
C 4.281794 -1.293104 -0.312189
H -1.593794 -2.337970 -1.054219
H -1.617336 -0.987841 1.718455
H -3.976162 -1.901349 -1.253350
H -0.417697 0.014620 -0.950448
H -2.643376 -0.046723 -2.043983
H -0.162570 2.702976 -0.321072
H -4.849312 1.078959 -0.202352
H -5.082993 0.532182 -1.904318
H 1.298018 1.174227 -1.545935
H 2.262797 2.557782 -0.957904
H 3.564414 1.154865 0.456564
H 2.157941 0.126957 0.869684
H 0.171120 3.103693 2.156487
H 1.812124 2.422274 2.029824
H -2.656015 -4.004152 0.132008
H -0.064629 -2.751386 1.326973
H -4.129608 -2.014069 1.253432
H 3.621083 0.052672 -1.833198
H -3.270689 2.632742 -1.178399
H 0.940884 4.944006 0.683149
H 2.330351 4.657516 1.617182
H 2.278821 -1.981586 -2.093479
H 1.482454 -1.655977 -0.620065
H 6.146518 -1.098572 0.304829


