%chk=000016880.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016880

0 1
 O    1.343000      0.4224000      0.1828000    
 O   -4.851600      0.1261000     -0.5886000    
 O   0.9055000       2.655200      0.5328000    
 N    4.906800     -0.4890000      0.4151000    
 C    3.467800     -0.6749000      0.2326000    
 C    5.547100      -1.758600      0.7571000    
 C    5.506300      7.6700002E-02 -0.7929000    
 C    2.732200      0.6469000      0.3844000    
 C    5.392400      -2.771200     -0.3649000    
 C    6.991200      0.3340000     -0.6002000    
 C  -0.8812000       1.150000      5.6400001E-02
 C   0.5391000       1.516700      0.2858000    
 C   -3.549900      0.4616000     -0.3758000    
 C   -5.250000      -1.194200     -0.2231000    
 C   -6.721800      -1.175500      0.1602000    
 C   -1.872900       2.129000      0.1186000    
 C   -1.224000     -0.1732000     -0.2218000    
 C   -3.207200       1.784900     -9.7599998E-02
 C   -2.558300     -0.5174000     -0.4379000    
 C   -7.214500      -2.549500      0.5770000    
 H    3.060600      -1.356100      0.9925000    
 H    3.212200      -1.121200     -0.7374000    
 H    5.088400      -2.161500       1.669500    
 H    6.602500      -1.630400       1.019700    
 H    5.332200     -0.5144000      -1.698900    
 H    5.060700       1.057600     -0.9933000    
 H    2.891600       1.053900       1.390600    
 H    3.068200       1.383400     -0.3524000    
 H    4.351900      -2.982400     -0.6261000    
 H    5.941300      -2.502500      -1.271600    
 H    5.817700      -3.725700     -3.1099999E-02
 H    7.192400      0.8648000      0.3368000    
 H    7.583700     -0.5855000     -0.6205000    
 H    7.362700      0.9642000      -1.416200    
 H   -4.681400      -1.561500      0.6413000    
 H   -5.090800      -1.864300      -1.076000    
 H   -7.316800     -0.8063000     -0.6838000    
 H   -6.880800     -0.4603000      0.9762000    
 H   -1.626800       3.165300      0.3338000    
 H  -0.4835000     -0.9656000     -0.2859000    
 H   -3.975500       2.551700     -4.8300002E-02
 H   -2.779200      -1.552900     -0.6792000    
 H   -7.097100      -3.271900     -0.2370000    
 H   -6.661200      -2.918300       1.446500    
 H   -8.275300      -2.507300      0.8432000    


%chk=000016880-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000016880

0 1
O 1.415994 0.322824 0.321511
O -5.008724 0.220140 0.158450
O 0.999130 2.607638 0.532747
N 5.063923 -0.495849 0.115941
C 3.598082 -0.715198 0.140809
C 5.852753 -1.560698 0.783417
C 5.563348 -0.068010 -1.215901
C 2.875196 0.614769 0.397397
C 5.872248 -2.946284 0.080021
C 6.977963 0.538616 -1.171113
C -0.868701 1.050348 0.338938
C 0.564296 1.433486 0.409660
C -3.627686 0.419979 0.212597
C -5.512149 -1.161043 0.006712
C -7.039870 -1.082274 -0.030463
C -1.847960 2.080557 0.409983
C -1.291259 -0.295875 0.204887
C -3.213762 1.772302 0.347991
C -2.661253 -0.618722 0.141361
C -7.674569 -2.479845 -0.202999
H 3.348209 -1.416637 0.957739
H 3.208515 -1.166459 -0.801745
H 5.447782 -1.677639 1.806857
H 6.890235 -1.198236 0.904124
H 5.539450 -0.904300 -1.960046
H 4.865007 0.701096 -1.596474
H 3.116589 1.016776 1.396462
H 3.126875 1.384349 -0.354068
H 4.850413 -3.352668 -0.035991
H 6.333117 -2.888685 -0.922932
H 6.458247 -3.668880 0.678215
H 7.018393 1.357327 -0.431178
H 7.744504 -0.209999 -0.901148
H 7.247673 0.946183 -2.162685
H -5.165464 -1.777323 0.862326
H -5.113951 -1.598616 -0.932531
H -7.342391 -0.418651 -0.861635
H -7.396941 -0.611103 0.903923
H -1.509984 3.116675 0.514040
H -0.537085 -1.085928 0.151204
H -3.979748 2.551476 0.400790
H -2.963277 -1.664656 0.038106
H -7.348435 -2.957238 -1.146099
H -7.401075 -3.153596 0.630703
H -8.775958 -2.407327 -0.227506


