%chk=000080851.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080851

0 1
 O   -3.086100      -3.528400     -0.1098000    
 O   8.6400002E-02   1.585000     -7.5000003E-02
 O   -4.403000      -1.310100      4.5699999E-02
 O    3.084000      -2.053900      0.7766000    
 N    1.592800     -0.5447000     -0.2345000    
 C  -0.8681000     -0.5837000     -0.1095000    
 C   -2.043100      -1.337700     -7.8000002E-02
 C   -2.237800       1.557100      4.2900000E-02
 C   -3.412800      0.8031000      7.4900001E-02
 C   0.3722000      -1.227100     -0.1983000    
 C  -0.9226000      0.8913000     -5.0700001E-02
 C   -3.358400     -0.6719000      1.5699999E-02
 C   -1.977800      -2.735000     -0.1355000    
 C   0.4327000      -2.619700     -0.2554000    
 C  -0.7398000      -3.372100     -0.2243000    
 C   -2.303100       2.954500      9.9500000E-02
 C   -4.653100       1.446500      0.1638000    
 C   -3.541200       3.591600      0.1875000    
 C   -4.713600       2.839200      0.2198000    
 C    2.835200     -0.9808000      0.2379000    
 C    3.949900     -1.0100000E-02  8.0899999E-02
 C    5.012500     -6.7900002E-02  0.9581000    
 C    3.885600      0.9162000     -0.9388000    
 C    6.058800      0.8423000      0.8088000    
 C    4.931900       1.826500      -1.088000    
 C    6.018600       1.789600     -0.2144000    
 H    1.364500      -3.163600     -0.3712000    
 H  -0.6825000      -4.456100     -0.2797000    
 H   -1.404900       3.565900      7.6200001E-02
 H   -5.582600      0.8840000      0.1906000    
 H    1.510700      0.4451000     -0.4451000    
 H   -3.591200       4.675800      0.2312000    
 H   -5.676200       3.337700      0.2886000    
 H   -3.891000      -2.992700     -4.8200000E-02
 H    5.057700     -0.7946000       1.763600    
 H    3.076200      0.9554000      -1.660600    
 H    6.904600      0.8144000       1.489700    
 H    4.904900       2.559100      -1.889500    
 H    6.834000       2.497200     -0.3316000    


%chk=000080851-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080851

0 1
O -3.204938 -3.525025 0.188661
O 0.162339 1.596310 -0.115715
O -4.490726 -1.392255 0.046699
O 3.211173 -2.272822 0.126031
N 1.583355 -0.575650 0.025011
C -0.855600 -0.604058 0.015453
C -2.087125 -1.351298 0.056564
C -2.237346 1.534808 -0.126736
C -3.446564 0.779481 -0.085728
C 0.394469 -1.312138 0.065897
C -0.908981 0.867460 -0.076923
C -3.390811 -0.691728 0.008277
C -2.060206 -2.780699 0.147499
C 0.389232 -2.749009 0.157803
C -0.806657 -3.459409 0.197271
C -2.301451 2.948155 -0.216919
C -4.699068 1.441177 -0.134934
C -3.549104 3.599735 -0.265402
C -4.750882 2.845306 -0.224466
C 2.908115 -1.040123 0.058792
C 3.968789 0.028045 0.008271
C 5.317147 -0.418298 0.008624
C 3.701096 1.424295 -0.034781
C 6.379098 0.505991 -0.034258
C 4.767837 2.347492 -0.077095
C 6.107432 1.894190 -0.077341
H 1.352161 -3.261635 0.195152
H -0.813838 -4.550803 0.266903
H -1.361759 3.507350 -0.247079
H -5.608191 0.833344 -0.101669
H 1.394693 0.450199 -0.040711
H -3.592715 4.691730 -0.334844
H -5.718471 3.356514 -0.262611
H -4.004457 -2.846568 0.141294
H 5.498972 -1.497253 0.043931
H 2.679049 1.819148 -0.033671
H 7.414410 0.148522 -0.033977
H 4.552705 3.420972 -0.109180
H 6.931119 2.615947 -0.110193


