%chk=000176702.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176702

0 1
 O    2.367400     -0.7687000      -1.303000    
 O   -2.340600      -2.256800     -0.2615000    
 O   -4.163400     -0.4418000     -0.2166000    
 N  -0.4949000     -0.8131000     -7.5599998E-02
 C   0.5476000      -1.846600     -0.1627000    
 C  -9.6500002E-02  0.5713000      7.5999998E-02
 C    1.912500      -1.193700     -0.1169000    
 C   5.8400001E-02   1.065800       1.345200    
 C   0.1044000       1.315700      -1.057400    
 C   0.3652000      -2.904900      0.9201000    
 C   -1.867800      -1.123400     -0.1345000    
 C   0.4414000       2.399200       1.491300    
 C   0.4875000       2.648900     -0.9114000    
 C    2.760000     -0.9594000      0.9016000    
 C  -0.1640000      0.2434000       2.573100    
 C  -6.7500003E-02  0.7642000      -2.435700    
 C   -2.842500      3.9299998E-02 -8.5900001E-02
 C   0.6559000       3.190700      0.3630000    
 C    3.871800     -0.3184000      0.3050000    
 C    3.584400     -0.2256000      -1.036900    
 C   -5.119400      0.6138000     -0.1771000    
 H   0.4209000      -2.342100      -1.134200    
 H    1.185100      -3.632300      0.8876000    
 H  -0.5609000      -3.472300      0.7971000    
 H   0.3524000      -2.474500       1.925700    
 H   0.5792000       2.834500       2.477600    
 H   0.6568000       3.276200      -1.782700    
 H    2.640200      -1.213600       1.944000    
 H  -0.9732000     -0.4820000       2.454700    
 H   0.7496000     -0.2758000       2.868700    
 H  -0.4634000      0.8830000       3.412000    
 H  -7.8599997E-02 -0.3266000      -2.486400    
 H   -1.008300       1.127300      -2.863100    
 H   0.7544000       1.095700      -3.080400    
 H   -2.744300      0.5553000      0.8741000    
 H   -2.637400      0.7267000     -0.9112000    
 H   0.9548000       4.228600      0.4766000    
 H    4.771400      2.9800000E-02  0.7917000    
 H    4.112500      0.1774000      -1.888800    
 H   -5.066000       1.142000      0.7797000    
 H   -6.116400      0.1779000     -0.2815000    
 H   -4.953200       1.311200      -1.003800    


%chk=000176702-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176702

0 1
O 2.582223 -0.811955 -1.237269
O -1.937740 -2.340900 -1.311963
O -3.317512 -0.012964 0.610409
N -0.530053 -0.780560 -0.299597
C 0.546476 -1.853853 -0.266359
C -0.232913 0.613808 0.003889
C 1.922483 -1.289430 -0.076132
C -0.268740 1.082210 1.347927
C 0.076160 1.489522 -1.081314
C 0.224019 -2.932353 0.796294
C -1.754295 -1.176540 -0.831946
C 0.018495 2.448982 1.590569
C 0.353276 2.848613 -0.794793
C 2.781861 -1.169454 1.005197
C -0.610732 0.164553 2.503755
C 0.111869 0.993926 -2.516459
C -2.903540 -0.163332 -0.791177
C 0.329985 3.327828 0.532381
C 4.016809 -0.587341 0.523054
C 3.858599 -0.382818 -0.835642
C -4.450224 0.905251 0.740595
H 0.496359 -2.345450 -1.258802
H 0.948805 -3.761417 0.713890
H -0.784987 -3.333872 0.615456
H 0.267855 -2.525463 1.819640
H -0.009183 2.821264 2.621449
H 0.593048 3.528915 -1.620346
H 2.564698 -1.468178 2.028718
H -1.471352 -0.476805 2.250216
H 0.243778 -0.489921 2.760672
H -0.860855 0.749154 3.405817
H 0.870599 0.201982 -2.643331
H -0.856509 0.566664 -2.838640
H 0.358461 1.819431 -3.205633
H -2.604780 0.823156 -1.205785
H -3.727105 -0.588267 -1.398778
H 0.549516 4.381354 0.739657
H 4.902763 -0.354967 1.110514
H 4.491315 0.018683 -1.622087
H -4.191391 1.921091 0.373768
H -4.685157 0.951612 1.815406
H -5.336882 0.534141 0.184280


