%chk=000044912.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044912

1 1
 O  -0.4614000      0.2837000     -0.6839000    
 O  -0.6778000       1.223000       1.438100    
 N    4.068900      -1.035200      0.4287000    
 C    3.078900     -1.2400000E-02 -0.1340000    
 C    4.796700     -0.4117000       1.616200    
 C    5.054600      -1.420700     -0.6709000    
 C    3.373900      -2.306900      0.9108000    
 C    1.770300     -0.3627000     -0.1377000    
 C    3.595200       1.157000     -0.5821000    
 C   0.8689000      0.5694000     -0.6514000    
 C    2.693700       2.089200      -1.095900    
 C    1.330500       1.795300      -1.130600    
 C   -2.601900      0.3245000      0.3536000    
 C   -1.161000      0.6679000      0.4626000    
 C   -2.970500     -0.7772000     -0.3908000    
 C   -4.323700      -1.099400     -0.4928000    
 C   -3.526700       1.118300       1.000300    
 C   -5.278500     -0.3128000      0.1517000    
 C   -4.880000      0.7962000      0.8983000    
 C   -4.750300      -2.285600      -1.290300    
 H    4.053300     -7.6899998E-02   2.346800    
 H    5.440600      -1.178000       2.060100    
 H    5.418700      0.4217000       1.278300    
 H    5.664600     -0.5558000     -0.9454000    
 H    5.707900      -2.207800     -0.2805000    
 H    4.491100      -1.793200      -1.532300    
 H    2.881300      -2.800500      6.6500001E-02
 H    4.145800      -2.981200       1.299400    
 H    2.687300      -2.063900       1.728500    
 H    1.351800      -1.294400      0.2168000    
 H    4.648600       1.408500     -0.5675000    
 H    3.052800       3.043800      -1.469500    
 H   0.6337000       2.525800      -1.532400    
 H   -2.235400      -1.406600     -0.8847000    
 H   -3.228900       1.986000       1.581600    
 H   -6.335700     -0.5541000      8.1600003E-02
 H   -5.623500       1.408900       1.399800    
 H   -5.769000      -2.162000      -1.672900    
 H   -4.097900      -2.430600      -2.158100    
 H   -4.717300      -3.186700     -0.6700000    


%chk=000044912-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044912

1 1
O -0.525460 -0.112996 -0.610890
O -0.475073 -1.010011 1.572235
N 4.296279 -0.545954 0.810232
C 3.201269 -0.153619 -0.190808
C 5.115606 0.698407 1.182940
C 5.213515 -1.602157 0.177012
C 3.732720 -1.136457 2.104287
C 1.851110 -0.352045 0.148859
C 3.595481 0.399688 -1.427752
C 0.860089 0.023113 -0.797316
C 2.587980 0.763032 -2.350127
C 1.226594 0.579189 -2.044825
C -2.615265 -0.643045 0.455825
C -1.146731 -0.632314 0.584162
C -3.287398 -0.194541 -0.715521
C -4.697574 -0.223387 -0.794927
C -3.359787 -1.128140 1.565949
C -5.424999 -0.711761 0.326035
C -4.764858 -1.159053 1.493053
C -5.426940 0.252936 -2.037054
H 4.436096 1.444633 1.619904
H 5.889691 0.409072 1.910708
H 5.585002 1.112168 0.280488
H 5.669243 -1.192861 -0.734318
H 5.998011 -1.871442 0.901289
H 4.606464 -2.482935 -0.078721
H 3.153727 -2.042356 1.875848
H 4.581710 -1.393916 2.755463
H 3.094796 -0.393823 2.603945
H 1.516459 -0.774288 1.094678
H 4.644161 0.557454 -1.698063
H 2.873554 1.193224 -3.314255
H 0.441905 0.857942 -2.752939
H -2.701304 0.175686 -1.561198
H -2.828706 -1.470059 2.459785
H -6.520359 -0.740564 0.280558
H -5.347849 -1.530480 2.341692
H -6.095661 1.102603 -1.806020
H -4.725583 0.580897 -2.822323
H -6.058316 -0.548940 -2.461890


