%chk=000012924.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012924

0 1
 O    4.572400      0.6098000      0.4316000    
 O    3.854700      -2.045900      0.7519000    
 O    2.637100       2.486700     -0.2000000    
 O   -1.025100      -2.127800     -0.5297000    
 N   -1.736500      2.6200000E-02  6.9799997E-02
 C   0.6120000     -0.5518000     -3.2200001E-02
 C   -3.148000     -8.3400004E-02  1.9300001E-02
 C   0.9698000      0.7865000     -0.1947000    
 C    1.584100      -1.500100      0.2864000    
 C    2.914300      -1.110100      0.4425000    
 C    2.299900       1.176500     -3.8600001E-02
 C    3.272200      0.2284000      0.2800000    
 C   -3.942400       1.011200      0.3181000    
 C  -0.7750000     -0.9586000     -0.1954000    
 C   -3.703100      -1.303000     -0.3336000    
 C   -5.330200      0.8831000      0.2627000    
 C   -3.354900       2.331300      0.6997000    
 C   -5.090900      -1.430900     -0.3890000    
 C   -5.904500     -0.3380000     -9.0999998E-02
 C    5.204900       1.213500     -0.6945000    
 C    4.505500      -2.695600     -0.3383000    
 C    1.583700       3.391600     -0.5250000    
 H   0.2093000       1.494100     -0.4980000    
 H    1.319000      -2.546100      0.4214000    
 H   -1.405600      0.9277000      0.3953000    
 H   -3.150400      -2.196600     -0.5788000    
 H   -5.979300       1.724100      0.4919000    
 H   -2.774600       2.241900       1.624100    
 H   -2.713400       2.714700     -0.1008000    
 H   -4.130800       3.084300      0.8773000    
 H   -5.539600      -2.381100     -0.6642000    
 H   -6.985100     -0.4378000     -0.1342000    
 H    5.154600       2.302900     -0.6135000    
 H    4.768100      0.8806000      -1.642600    
 H    6.259400      0.9219000     -0.6845000    
 H    5.039300      -1.969100     -0.9589000    
 H    3.779400      -3.246100     -0.9449000    
 H    5.230100      -3.405700      6.9499999E-02
 H   0.8313000       3.441800      0.2697000    
 H    1.146700       3.167800      -1.504300    
 H    2.029800       4.389000     -0.5999000    


%chk=000012924-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012924

0 1
O 4.568211 0.431812 0.203393
O 3.652739 -2.349184 0.461878
O 2.706039 2.379112 -0.447052
O -1.275300 -2.268933 -0.624316
N -1.901186 -0.107853 0.071481
C 0.470457 -0.635774 -0.187522
C -3.323306 -0.168767 0.028925
C 0.860395 0.717418 -0.385193
C 1.444876 -1.615944 0.068262
C 2.816619 -1.274588 0.153647
C 2.223578 1.067005 -0.294196
C 3.224090 0.081612 -0.016891
C -4.044198 0.991815 0.460196
C -0.964993 -1.088353 -0.277580
C -4.021178 -1.320062 -0.424543
C -5.456276 0.959827 0.417437
C -3.317705 2.234003 0.952165
C -5.431321 -1.315973 -0.455952
C -6.158114 -0.180092 -0.036709
C 5.290042 1.084094 -0.912409
C 5.086605 -2.333308 0.120947
C 1.721627 3.448191 -0.627135
H 0.121263 1.473218 -0.667530
H 1.149293 -2.661383 0.187523
H -1.508499 0.750883 0.460711
H -3.449868 -2.195997 -0.735965
H -6.013058 1.845697 0.746317
H -2.689841 2.028924 1.843168
H -2.663493 2.673666 0.171022
H -4.039831 3.014686 1.242471
H -5.959552 -2.209117 -0.807648
H -7.253086 -0.179135 -0.059486
H 4.819734 2.046920 -1.167864
H 5.308626 0.420052 -1.799264
H 6.312974 1.240441 -0.537354
H 5.643708 -1.640830 0.770030
H 5.239379 -2.054771 -0.939350
H 5.412144 -3.372900 0.281797
H 1.016479 3.489049 0.225695
H 1.159260 3.326319 -1.573273
H 2.310866 4.376120 -0.665234


