%chk=000011128.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011128

0 1
 O  -7.9200000E-02  0.6200000     -1.8800000E-02
 O   -1.598700      -1.103000     -0.4260000    
 O    3.119700      -1.873000     -0.6664000    
 O    3.511900      0.6436000      0.7005000    
 O   0.4702000      -2.992200     -2.7200000E-02
 O    1.327200       2.807300     -0.9820000    
 N   -2.154600       2.215300     -0.3789000    
 C    2.113100      -1.230600      0.1175000    
 C    2.320700      0.2801000      7.7000000E-03
 C   0.7317000      -1.638000     -0.3950000    
 C    1.134300       1.036500      0.6099000    
 C  -0.3656000     -0.7586000      0.2047000    
 C    1.263500       2.542900      0.4075000    
 C   -2.672000     -0.3250000      8.0300003E-02
 C   -2.786500     -0.5791000       1.583000    
 C   -3.953300     -0.7421000     -0.6408000    
 C   -2.382500       1.095700     -0.1760000    
 H    2.258700      -1.573500       1.149300    
 H    2.465700      0.5317000      -1.049000    
 H   0.7052000      -1.596000      -1.490400    
 H    1.063500      0.8513000       1.689900    
 H  -0.4084000     -0.9726000       1.278600    
 H    2.150100       2.956100      0.8987000    
 H   0.3818000       3.058800      0.7996000    
 H    3.983200      -1.584000     -0.3248000    
 H    3.396200      0.4137000       1.638200    
 H   0.4973000      -3.052700      0.9430000    
 H   -2.718400      -1.648500       1.814000    
 H   -2.024700     -5.7300001E-02   2.173700    
 H   -3.748800     -0.2149000       1.963800    
 H   -4.161800      -1.805700     -0.4773000    
 H   -3.854200     -0.6080000      -1.724800    
 H   -4.819700     -0.1619000     -0.3051000    
 H    2.246800       2.676100      -1.268300    


%chk=000011128-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000011128

0 1
O 0.041930 0.871122 -0.308965
O -1.674952 -0.693790 -0.373128
O 2.877957 -2.198370 -0.035100
O 3.754605 0.607035 0.335270
O 0.129909 -2.726672 0.671022
O 2.643680 2.692566 -1.399377
N -2.719282 1.991578 1.651105
C 1.983313 -1.129326 0.418262
C 2.391047 0.242459 -0.129687
C 0.571942 -1.532209 -0.048159
C 1.337657 1.301693 0.260163
C -0.429737 -0.408579 0.267903
C 1.675489 2.707093 -0.302007
C -2.927086 -0.360690 0.376364
C -3.209520 -1.478680 1.408512
C -4.010365 -0.280269 -0.717069
C -2.799949 0.952352 1.070459
H 1.983330 -1.088777 1.534657
H 2.485386 0.211510 -1.226058
H 0.591776 -1.699358 -1.144178
H 1.242921 1.348750 1.373216
H -0.536278 -0.297472 1.372392
H 2.030566 3.360447 0.521135
H 0.753265 3.137057 -0.723426
H 3.813269 -1.882552 0.063124
H 3.735731 0.749355 1.317972
H 0.810631 -3.431667 0.517963
H -3.279934 -2.438040 0.870176
H -2.393623 -1.560816 2.145945
H -4.155160 -1.284986 1.944410
H -4.045775 -1.246617 -1.247527
H -3.765376 0.512584 -1.441279
H -4.998453 -0.075761 -0.271387
H 3.503485 2.341431 -1.043606


