%chk=000090312.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090312

0 1
 O    1.627900      -1.093100     -0.5714000    
 O    4.098600     -0.3213000      0.4001000    
 O  -0.6178000     -0.1546000      -1.540800    
 N   -4.977500     -0.1965000     -3.4699999E-02
 N   -1.620800       1.407600     -0.1499000    
 C   -3.588600      5.0299998E-02  0.3509000    
 C   -2.978700       1.129700     -0.5311000    
 C   0.8026000       1.117600     -0.1762000    
 C    1.820900      0.1866000     -0.1404000    
 C  -0.5351000      0.7319000     -0.6948000    
 C    1.183100      -2.040800      0.3960000    
 C    3.069600      0.5699000      0.3493000    
 C   0.9806000       2.416800      0.2571000    
 C   -5.763300       1.032500      7.0799999E-02
 C   -5.560100      -1.248400      0.7976000    
 C    1.049800      -3.400300     -0.2727000    
 C    3.273700       1.876700      0.7928000    
 C    2.229100       2.800000      0.7467000    
 C   0.5635000      -4.461700      0.6977000    
 C    4.942400     -0.4031000     -0.7469000    
 H   -3.004400     -0.8721000      0.2380000    
 H   -3.513500      0.3438000       1.406900    
 H   -3.003600      0.8318000      -1.585700    
 H   -3.490100       2.091200     -0.4343000    
 H   -1.487200       2.076200      0.6013000    
 H   0.2160000      -1.726500      0.8066000    
 H    1.907900      -2.097000       1.217200    
 H   0.2043000       3.173300      0.2053000    
 H   -6.831000      0.8135000     -5.4800000E-02
 H   -5.640900       1.528700       1.040600    
 H   -5.528800       1.738500     -0.7317000    
 H   -5.588900     -0.9699000       1.857400    
 H   -6.581400      -1.476500      0.4727000    
 H   -4.987600      -2.177800      0.7006000    
 H    2.016100      -3.697500     -0.6973000    
 H   0.3579000      -3.326500      -1.120300    
 H    4.244000       2.182800       1.174300    
 H    2.390900       3.819400       1.084800    
 H  -0.4196000      -4.201800       1.102900    
 H   0.4772000      -5.428000      0.1909000    
 H    1.260400      -4.577700       1.533800    
 H    5.436300      0.5566000     -0.9288000    
 H    4.366700     -0.7029000      -1.628100    
 H    5.708000      -1.160000     -0.5556000    


%chk=000090312-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090312

0 1
O 2.013392 -1.021840 -0.041753
O 4.540374 0.080225 0.523174
O -0.523510 -0.061102 -1.540796
N -4.733883 -0.417212 0.017920
N -1.396485 1.421850 0.022219
C -3.310034 -0.171703 0.327374
C -2.796593 1.133942 -0.332999
C 1.032395 1.275471 -0.189296
C 2.118791 0.373567 0.016891
C -0.334822 0.804543 -0.628143
C 0.925962 -1.721807 0.693875
C 3.426049 0.897692 0.269205
C 1.259639 2.674551 -0.074943
C -5.658242 0.389379 0.838258
C -5.093742 -1.849180 0.021671
C 0.424815 -2.877741 -0.175093
C 3.623677 2.291545 0.376580
C 2.541175 3.182178 0.217918
C -0.640801 -3.720790 0.559658
C 4.901379 -0.915824 -0.510793
H -2.710086 -1.002780 -0.084312
H -3.115416 -0.131986 1.431105
H -2.867467 1.016709 -1.427224
H -3.416706 1.998050 -0.034462
H -1.193870 2.040314 0.809098
H 0.105532 -1.021212 0.936027
H 1.370316 -2.085697 1.642250
H 0.433200 3.366127 -0.273958
H -6.693854 0.243220 0.482819
H -5.624580 0.123985 1.926606
H -5.423104 1.463899 0.743304
H -5.011926 -2.329929 1.030161
H -6.136166 -1.969392 -0.325279
H -4.438140 -2.399140 -0.675893
H 1.287028 -3.514865 -0.449879
H 0.016794 -2.450804 -1.107805
H 4.635648 2.647386 0.593659
H 2.702460 4.262153 0.295338
H -1.528707 -3.112434 0.818838
H -0.983083 -4.555783 -0.077142
H -0.242840 -4.153914 1.497210
H 5.165659 -0.402587 -1.455678
H 4.074027 -1.622889 -0.681237
H 5.784348 -1.434775 -0.107673


