%chk=000037048.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037048

0 1
 O  -0.5432000       2.514600     -0.1964000    
 O    2.955400      -1.712400      0.3721000    
 N   -2.784500      0.4325000      0.6989000    
 N   -3.018200      -1.542100     -0.4083000    
 C  -1.3100000E-02  0.2056000     -0.5688000    
 C   -1.325700      8.5000005E-03  -1.271500    
 C   -2.395400     -0.3949000     -0.3104000    
 C   0.8689000     -0.8613000     -0.4257000    
 C   -3.846200     -0.1704000       1.446600    
 C   0.3112000       1.461400     -6.3600004E-02
 C    2.086100     -0.6710000      0.2282000    
 C   -3.985300      -1.523200      0.7325000    
 C    2.415900      0.5856000      0.7362000    
 C    1.528300       1.651800      0.5903000    
 C   0.5206000      -2.211000     -0.9683000    
 C    3.714100      0.8095000       1.439300    
 C  -0.4029000       3.319000      -1.365500    
 C    3.914000      -1.902200     -0.6656000    
 H   -1.658300      0.9231000      -1.773300    
 H   -1.250500     -0.7296000      -2.077400    
 H   -4.766500      0.4165000       1.373900    
 H   -3.577900     -0.2962000       2.499500    
 H   -3.756900      -2.350300       1.413300    
 H   -5.002800      -1.663100      0.3526000    
 H   -2.426800       1.361400      0.8842000    
 H    1.778800       2.634600      0.9824000    
 H    1.200600      -2.997500     -0.6266000    
 H  -0.4725000      -2.527900     -0.6383000    
 H   0.5585000      -2.202500      -2.062500    
 H    4.521100      0.9433000      0.7124000    
 H    3.676100       1.703000       2.072400    
 H    3.958600     -3.0500000E-02   2.098100    
 H  -0.2477000       2.712400      -2.263600    
 H   0.4385000       4.007000      -1.238100    
 H   -1.317700       3.904600      -1.490900    
 H    4.594100      -1.047500     -0.7277000    
 H    3.420900      -2.054800      -1.630900    
 H    4.499600      -2.795100     -0.4299000    


%chk=000037048-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037048

0 1
O -0.734596 2.295755 -0.717211
O 3.063540 -1.698515 0.473069
N -3.023430 0.530786 0.214790
N -2.974656 -1.739437 -0.187886
C -0.033034 0.000592 -0.799864
C -1.363992 -0.313820 -1.480054
C -2.474067 -0.550986 -0.476356
C 0.900437 -1.026719 -0.490965
C -3.946516 0.028558 1.255501
C 0.279807 1.340025 -0.440558
C 2.136546 -0.671855 0.120007
C -4.037755 -1.496080 0.854865
C 2.457156 0.666804 0.459257
C 1.503809 1.673957 0.177954
C 0.580345 -2.483459 -0.776791
C 3.776134 1.005990 1.128147
C -0.396177 3.710663 -0.544607
C 3.999219 -2.055095 -0.607124
H -1.648462 0.529983 -2.133563
H -1.279873 -1.220549 -2.097354
H -4.928524 0.534015 1.213859
H -3.526225 0.165239 2.273234
H -3.875059 -2.165176 1.717840
H -5.026136 -1.740267 0.421135
H -2.581024 1.451465 0.207472
H 1.731629 2.706854 0.458977
H 1.284559 -3.137626 -0.238670
H -0.449349 -2.730625 -0.462542
H 0.654224 -2.713374 -1.858476
H 4.597846 1.087205 0.389464
H 3.715845 1.970315 1.661739
H 4.063085 0.217287 1.843722
H 0.489561 3.984923 -1.148702
H -0.208192 3.955298 0.519020
H -1.276663 4.266045 -0.901650
H 4.621001 -1.185966 -0.900818
H 3.456603 -2.429634 -1.497385
H 4.641586 -2.851677 -0.199875


