%chk=000065719.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065719

0 1
 O    2.822000     -0.5047000      0.9517000    
 O   -3.215800      0.5274000     -0.6375000    
 O   -3.186800     -0.9823000       1.130600    
 N    2.095600       1.658400      0.3774000    
 N    3.279300      -1.788800      0.4428000    
 N   -5.099900     -0.6848000     -0.1476000    
 C    1.713800     -9.5500000E-02  -1.234700    
 C    2.709400      0.4261000     -0.1356000    
 C    1.753400      -1.626200      -1.412200    
 C   0.4199000      0.4596000     -0.6737000    
 C   0.7209000       1.496000      0.2281000    
 C    1.982900      0.5892000      -2.588700    
 C    2.070100      -2.385000     -0.1256000    
 C  -0.8903000      0.1228000     -0.9793000    
 C    2.700600       2.453100       1.417400    
 C  -0.3032000       2.210500      0.8314000    
 C   -1.917900      0.8345000     -0.3605000    
 C    3.713200      -2.511000       1.633300    
 C   -1.626800       1.871400      0.5368000    
 C   -3.789600     -0.4405000      0.2087000    
 C   -5.950600      -1.630200      0.5372000    
 H    3.709600      0.6258000     -0.5406000    
 H    2.540200      -1.877800      -2.137900    
 H   0.8197000      -2.006200      -1.842400    
 H    1.234600      0.2954000      -3.334300    
 H    1.956500       1.682700      -2.514400    
 H    2.969700      0.3121000      -2.976400    
 H    1.221500      -2.340200      0.5692000    
 H    2.242000      -3.439100     -0.3732000    
 H   -1.116100     -0.6641000      -1.690900    
 H    2.487200       2.034100       2.406400    
 H    2.337100       3.485400       1.385400    
 H    3.787500       2.485500       1.288800    
 H  -9.8399997E-02   3.017700       1.527000    
 H    2.928100      -2.573300       2.395900    
 H    4.583000      -2.014900       2.077200    
 H    4.023100      -3.528400       1.371800    
 H   -2.435300       2.423900       1.009300    
 H   -5.487300     -0.1722000     -0.9338000    
 H   -5.426100      -2.111700       1.365700    
 H   -6.273600      -2.383600     -0.1853000    
 H   -6.824300      -1.092500      0.9134000    


%chk=000065719-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000065719

0 1
O 3.036669 -0.376883 0.954971
O -3.334495 0.630308 0.107398
O -3.262745 -1.747234 -0.107734
N 2.185995 1.686720 0.233142
N 3.419537 -1.788091 0.509179
N -5.266888 -0.519927 -0.034412
C 1.607756 -0.178397 -1.141802
C 2.753986 0.442520 -0.264452
C 1.677648 -1.726370 -1.217666
C 0.372409 0.404345 -0.440889
C 0.782702 1.534793 0.321123
C 1.694984 0.418025 -2.577519
C 2.117004 -2.394953 0.096251
C -0.976400 0.047733 -0.537285
C 2.943250 2.597360 1.092323
C -0.157472 2.330871 1.004771
C -1.919667 0.842497 0.167923
C 3.968264 -2.390684 1.744964
C -1.524413 1.966279 0.920869
C -3.898277 -0.668186 -0.019718
C -6.171887 -1.663250 -0.163850
H 3.701778 0.581451 -0.818274
H 2.404982 -2.008618 -2.002633
H 0.691264 -2.120588 -1.527983
H 0.866235 0.034808 -3.199777
H 1.625995 1.519765 -2.553021
H 2.648961 0.133871 -3.060601
H 1.351136 -2.273314 0.894052
H 2.289213 -3.475148 -0.072392
H -1.304520 -0.823278 -1.108383
H 2.856682 2.338925 2.167319
H 2.592115 3.636128 0.948024
H 4.009162 2.554456 0.814070
H 0.144065 3.197662 1.600644
H 3.241772 -2.391258 2.587368
H 4.864916 -1.826094 2.045795
H 4.260326 -3.430993 1.514370
H -2.291913 2.547130 1.441579
H -5.633987 0.427432 0.056179
H -5.557860 -2.575199 -0.232544
H -6.792646 -1.584771 -1.075875
H -6.836740 -1.751242 0.715394


