%chk=000100810.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100810

0 1
 O    4.844900      0.9971000       1.045000    
 O   -4.840800       1.000200       1.047500    
 O    3.839300       2.171800     -0.5192000    
 O   -3.835400       2.174100     -0.5174000    
 N    1.199000      -1.013600     -0.5654000    
 N   -1.209600      -1.008900     -0.5590000    
 N    1.752700      -1.789400      0.3819000    
 N   -1.753200      -1.790400      0.3798000    
 N    3.911800       1.141900      0.2073000    
 N   -3.909400       1.143300      0.2076000    
 C   6.9999998E-04  -1.450800      -1.240800    
 C    1.870600      0.1534000     -0.7839000    
 C   -1.869100      0.1536000     -0.7843000    
 C    2.938000      0.1398000      8.0600001E-02
 C   -2.938200      0.1390000      7.8000002E-02
 C    2.814600      -1.079800      0.7729000    
 C   -2.815900      -1.081200      0.7693000    
 H  -5.5000000E-03  -1.041000      -2.256300    
 H  -5.7999999E-03  -2.544400      -1.299700    
 H    1.536600      0.8738000      -1.518900    
 H   -1.533500      0.8756000      -1.517100    
 H    3.450700      -1.487100       1.546300    
 H   -3.452800      -1.488700       1.542100    


%chk=000100810-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100810

0 1
O 4.891779 0.998789 1.103857
O -4.895485 0.992047 1.106108
O 3.856813 2.227697 -0.532243
O -3.839060 2.241869 -0.500150
N 1.224309 -1.018784 -0.621352
N -1.227085 -1.020202 -0.623017
N 1.822284 -1.822327 0.371007
N -1.838900 -1.836648 0.350552
N 3.963203 1.182249 0.224506
N -3.956556 1.185881 0.240083
C -0.000686 -1.499585 -1.264662
C 1.888498 0.170080 -0.817145
C -1.881070 0.176581 -0.803217
C 2.967708 0.145697 0.079185
C -2.967406 0.144747 0.084219
C 2.889093 -1.094651 0.788993
C -2.903280 -1.108187 0.773173
H 0.000781 -1.186112 -2.320886
H -0.001232 -2.596468 -1.188000
H 1.596424 0.929066 -1.538427
H -1.577531 0.945992 -1.508533
H 3.555360 -1.473928 1.559864
H -3.578259 -1.495503 1.532383


