%chk=000000501.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000501

0 1
 O    4.125000      0.1669000      -1.371200    
 O    2.869300      -1.628200     -0.7804000    
 N    3.429100     -0.4872000       1.845300    
 N   -1.347000      0.3493000     -0.1518000    
 N   -3.404400     -0.7818000     -2.7500000E-02
 N   -3.389300       1.569300     -3.9900001E-02
 C    1.448300      0.5523000      0.8463000    
 C   0.8819000       1.341900     -0.3428000    
 C    2.957200      0.2993000      0.7082000    
 C  -0.6122000       1.614400     -0.2011000    
 C    3.296700     -0.5084000     -0.5312000    
 C   -2.646300      0.4030000     -7.6600000E-02
 C   -4.863100     -0.8065000      5.7300001E-02
 C   -2.745200      -2.084300      6.5399997E-02
 H   0.9219000     -0.4075000      0.9286000    
 H    1.251300       1.105800       1.773500    
 H    1.412300       2.297500     -0.4315000    
 H    1.052900      0.7890000      -1.274000    
 H    3.493100       1.255100      0.6841000    
 H  -0.7879000       2.196100      0.7119000    
 H  -0.9346000       2.209900      -1.063700    
 H    3.218400      4.4000000E-03   2.713000    
 H    4.444600     -0.5702000       1.807300    
 H   -5.263400      -1.825900      5.4200001E-02
 H   -5.305100     -0.2862000     -0.7987000    
 H   -5.198600     -0.3289000      0.9838000    
 H   -2.361800      -2.236000       1.079400    
 H   -1.910100      -2.150800     -0.6401000    
 H   -3.424200      -2.910000     -0.1714000    
 H   -2.951100       2.483100     -6.7599997E-02
 H   -4.399900       1.570800      2.7799999E-02
 H    4.331500     -0.3535000      -2.176700    


%chk=000000501-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000501

0 1
O 3.804566 0.036231 -1.503929
O 3.036460 -1.846992 -0.382486
N 3.420589 -0.195332 2.069518
N -1.330839 0.406796 -0.178864
N -3.369748 -0.781121 -0.060793
N -3.423790 1.590669 -0.015463
C 1.466671 0.689957 0.837933
C 0.907934 1.407848 -0.406600
C 2.980848 0.358190 0.775539
C -0.604795 1.685154 -0.269948
C 3.250172 -0.613358 -0.387171
C -2.646689 0.422104 -0.086289
C -4.809549 -0.810854 0.206073
C -2.637695 -2.054674 -0.095416
H 0.886786 -0.239839 0.995990
H 1.329266 1.323698 1.735274
H 1.444823 2.365231 -0.566987
H 1.059190 0.789500 -1.311264
H 3.545404 1.285620 0.574116
H -0.763240 2.325310 0.635535
H -0.931498 2.290462 -1.151318
H 2.921763 -1.060442 2.311381
H 4.436791 -0.320251 2.142875
H -5.150986 -1.858014 0.174107
H -5.394319 -0.261911 -0.562294
H -5.073605 -0.405529 1.206878
H -2.653460 -2.565153 0.889738
H -1.591920 -1.830258 -0.355399
H -3.073084 -2.733260 -0.853985
H -2.947252 2.486522 -0.007852
H -4.438078 1.583137 0.017350
H 3.938583 -0.626740 -2.236348


