%chk=000100456.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100456

0 1
 O    2.903500       2.344100     -0.9142000    
 O    2.431700       1.886800       1.184800    
 O   -4.935200     -0.7632000     -0.6927000    
 O   -4.558400       1.402700     -0.7642000    
 N    2.057400     -0.8282000      0.3595000    
 N    3.536700     -0.3781000      -1.205200    
 N    2.697900       1.505900      9.2000002E-03
 N   -4.187900      0.2293000     -0.5210000    
 C    1.094200     -0.6243000       1.446600    
 C  -0.2872000     -0.4012000      0.9311000    
 C    2.765300      0.1368000     -0.2737000    
 C   -1.140300      -1.486200      0.7298000    
 C  -0.7264000      0.8928000      0.6510000    
 C    2.374500      -2.029900     -0.1766000    
 C   -2.432500      -1.277300      0.2482000    
 C   -2.018800       1.101800      0.1695000    
 C   -2.872000      1.6700000E-02 -3.1900000E-02
 C    3.297500      -1.728400      -1.150300    
 H    1.428400      0.1509000       2.135900    
 H    1.120000      -1.543000       2.049600    
 H  -0.8112000      -2.499800      0.9434000    
 H  -9.0000004E-02   1.755100      0.8146000    
 H    1.943500      -2.964800      0.1539000    
 H   -3.069000      -2.146500      0.1036000    
 H   -2.327800       2.124000     -3.4000002E-02
 H    3.801900      -2.414900      -1.814400    


%chk=000100456-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100456

0 1
O 4.201630 2.223378 -0.045204
O 2.232317 2.018127 1.100921
O -5.169269 -0.913387 -0.387618
O -4.696803 1.248316 -0.942752
N 2.076278 -0.721495 0.301197
N 3.749395 -0.295667 -1.201749
N 3.168809 1.555149 0.312169
N -4.367200 0.094806 -0.468938
C 1.088853 -0.624458 1.418887
C -0.340655 -0.429707 0.924561
C 3.010960 0.204915 -0.189124
C -1.267215 -1.500569 0.991957
C -0.756530 0.822999 0.401030
C 2.253180 -1.868301 -0.466870
C -2.591739 -1.339171 0.538637
C -2.074749 1.001684 -0.059208
C -2.971979 -0.086244 0.014646
C 3.280230 -1.588227 -1.384623
H 1.396558 0.218541 2.054050
H 1.169761 -1.559645 1.999043
H -0.956407 -2.465674 1.409375
H -0.045874 1.655169 0.371226
H 1.654264 -2.761345 -0.305468
H -3.323982 -2.149384 0.582965
H -2.419213 1.956933 -0.463860
H 3.695179 -2.235642 -2.152750


