%chk=000127893.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127893

0 1
 O    3.918300       2.170200       1.547400    
 O  -0.7876000       1.293800      -1.548900    
 O    3.962500       2.966200     -0.5838000    
 O   -2.248500      -1.449800     -0.3569000    
 N   -2.169500      0.6110000      0.7063000    
 C    2.258700       1.344600      7.5400002E-02
 C    2.588600      0.2549000     -0.9650000    
 C    1.053700       2.209800     -0.3209000    
 C    3.479500     -0.8438000     -0.4401000    
 C  -0.2238000       1.400700     -0.4592000    
 C    3.464500       2.246500      0.2696000    
 C  -0.7420000      0.7110000      0.7852000    
 C    4.855400     -0.7139000     -0.5487000    
 C    2.907000      -1.964000      0.1424000    
 C    5.679300      -1.729400     -6.3299999E-02
 C    3.730900      -2.979600      0.6280000    
 C    5.117100      -2.862100      0.5251000    
 C   -2.819200     -0.4786000      0.1326000    
 C   -4.303500     -0.4190000      0.1047000    
 C   -4.979100      -1.107000     -0.8818000    
 C   -4.958500      0.3218000       1.066400    
 C   -6.372600      -1.051300     -0.9079000    
 C   -6.352000      0.3773000       1.040200    
 C   -7.059000     -0.3093000      5.2999999E-02
 H    2.032500      0.8602000       1.034700    
 H    3.053500      0.7033000      -1.853600    
 H    1.667400     -0.2125000      -1.335000    
 H   0.8779000       2.998700      0.4201000    
 H    1.243100       2.716600      -1.275400    
 H  -0.2847000     -0.2787000      0.8681000    
 H  -0.5047000       1.310200       1.668400    
 H    5.304700      0.1622000      -1.007300    
 H    1.828700      -2.063400      0.2295000    
 H   -2.697300       1.420200       1.015200    
 H    6.758600      -1.638300     -0.1437000    
 H    3.293200      -3.861300       1.086800    
 H    5.758500      -3.652700      0.9033000    
 H    4.693100       2.753400       1.695300    
 H   -4.459600      -1.685000      -1.640200    
 H   -4.447700      0.8414000       1.870200    
 H   -6.923200      -1.585100      -1.677000    
 H   -6.887600      0.9485000       1.793000    
 H   -8.144100     -0.2674000      3.3700000E-02


%chk=000127893-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127893

0 1
O 3.988184 2.197551 1.767247
O -0.697253 2.821693 -1.147538
O 4.596729 2.045587 -0.467974
O -1.215464 -0.701144 1.061407
N -2.069540 1.453203 0.862774
C 2.263783 1.525950 0.216643
C 2.109136 0.552870 -0.984656
C 1.442375 2.852571 0.032133
C 2.662232 -0.834777 -0.679300
C -0.055876 2.590655 -0.090370
C 3.723205 1.922709 0.416636
C -0.775803 2.054168 1.164992
C 3.953501 -1.220356 -1.121939
C 1.891035 -1.755658 0.079934
C 4.467245 -2.501346 -0.814912
C 2.406015 -3.035118 0.386588
C 3.694902 -3.412903 -0.058766
C -2.196882 0.067992 0.798403
C -3.546295 -0.464191 0.405790
C -3.609121 -1.787094 -0.101913
C -4.743340 0.286922 0.543921
C -4.845421 -2.342829 -0.489699
C -5.981301 -0.273180 0.160375
C -6.034629 -1.585856 -0.363392
H 1.933873 1.025673 1.144411
H 2.620382 0.994058 -1.859675
H 1.034151 0.478195 -1.231360
H 1.627132 3.502327 0.911003
H 1.777202 3.380202 -0.878223
H -0.162271 1.283924 1.661977
H -0.888324 2.898997 1.875887
H 4.555457 -0.511033 -1.702258
H 0.886475 -1.475520 0.422640
H -2.758943 2.034791 0.383293
H 5.465619 -2.786737 -1.166066
H 1.799517 -3.738104 0.969294
H 4.090934 -4.407196 0.178056
H 4.940000 2.473292 1.867518
H -2.678226 -2.358102 -0.179337
H -4.725122 1.290774 0.984550
H -4.884503 -3.362483 -0.887783
H -6.902331 0.308016 0.277833
H -6.995941 -2.018195 -0.662242


