%chk=000048472.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048472

0 1
 O   0.8488000       1.586200       2.355500    
 O   6.6500001E-02  0.9528000      -2.231100    
 O   -1.107300       4.880700     -0.1694000    
 N  -0.2177000       3.192500       1.112700    
 N  -0.6091000       2.875900      -1.178400    
 C  -2.5100000E-02  0.9264000      0.1919000    
 C    1.061800     -0.1578000      0.1563000    
 C   -1.382300      0.2756000      0.5135000    
 C   0.2751000       1.912200       1.316700    
 C  -0.1521000       1.566500      -1.186900    
 C    2.437600      0.4637000     -4.0100001E-02
 C   -1.748400     -0.7646000     -0.5379000    
 C    3.510200     -0.5947000     -7.1699999E-02
 C   -3.072500      -1.412900     -0.2244000    
 C  -0.6903000       3.724600     -8.1000000E-02
 C    4.123300     -0.9794000       1.111700    
 C   -3.102800      -2.555900      0.5608000    
 C    3.867200      -1.167800      -1.283400    
 C   -4.239900     -0.8561000     -0.7256000    
 C    5.115800      -1.959100       1.082600    
 C   -4.328000      -3.156000      0.8512000    
 C    4.859700      -2.147500      -1.312300    
 C   -5.465200      -1.456200     -0.4350000    
 C    5.483900      -2.543100     -0.1292000    
 C   -5.509200      -2.606000      0.3535000    
 H   0.9062000     -0.8722000     -0.6598000    
 H    1.049200     -0.7424000       1.086400    
 H   -2.170700       1.039500      0.5660000    
 H   -1.352100     -0.1886000       1.509000    
 H    2.691700       1.180100      0.7487000    
 H    2.483100       1.037200     -0.9744000    
 H   -1.006700      -1.566000     -0.6092000    
 H   -1.831100     -0.3329000      -1.540200    
 H  -0.1543000       3.833900       1.898300    
 H  -0.8343000       3.284000      -2.081400    
 H    3.841800     -0.5323000       2.060900    
 H   -2.188800      -2.990700      0.9557000    
 H    3.385400     -0.8681000      -2.209800    
 H   -4.216900      4.0600002E-02  -1.338400    
 H    5.601300      -2.267700       2.003800    
 H   -4.362500      -4.050800       1.465700    
 H    5.146000      -2.602900      -2.255800    
 H   -6.385100      -1.027700     -0.8220000    
 H    6.256400      -3.306200     -0.1518000    
 H   -6.463300      -3.072900      0.5800000    


%chk=000048472-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048472

0 1
O 0.561099 1.432724 2.485186
O -0.032536 1.074653 -2.303048
O -0.948395 5.027384 -0.044524
N -0.237629 3.180104 1.201922
N -0.559570 2.992645 -1.130332
C -0.027005 0.902889 0.155382
C 1.147339 -0.113645 0.088705
C -1.404928 0.159288 0.441039
C 0.154374 1.836986 1.365813
C -0.174717 1.637299 -1.185969
C 2.546290 0.544183 -0.058174
C -1.752502 -0.999886 -0.531780
C 3.643192 -0.510242 -0.113158
C -3.141233 -1.545526 -0.223072
C -0.614344 3.818655 0.007010
C 4.242982 -0.990214 1.079886
C -3.325845 -2.531101 0.780974
C 4.054389 -1.066941 -1.351554
C -4.283133 -1.049911 -0.903630
C 5.230852 -1.999915 1.037525
C -4.617001 -3.009433 1.098340
C 5.042187 -2.076797 -1.398475
C -5.576704 -1.525278 -0.590026
C 5.633761 -2.547248 -0.202982
C -5.748056 -2.506174 0.414261
H 0.978777 -0.781927 -0.772498
H 1.125942 -0.723305 1.010089
H -2.228334 0.900883 0.426432
H -1.343235 -0.234889 1.473307
H 2.723547 1.221369 0.798725
H 2.565205 1.153329 -0.982790
H -1.002390 -1.803953 -0.424508
H -1.700760 -0.642869 -1.575883
H -0.212082 3.777606 2.035006
H -0.756881 3.456363 -2.023584
H 3.936597 -0.565446 2.044244
H -2.452260 -2.932477 1.310595
H 3.600380 -0.703420 -2.282148
H -4.155975 -0.295782 -1.690779
H 5.688054 -2.356104 1.967819
H -4.740992 -3.774655 1.873037
H 5.352136 -2.493211 -2.363789
H -6.447494 -1.136341 -1.130005
H 6.402054 -3.327913 -0.237832
H -6.749858 -2.877859 0.656944


