%chk=000173807.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173807

0 1
 O  -0.3143000     -0.5714000      0.6967000    
 O    1.291400     -0.2897000       3.054200    
 O   -3.180800       2.960900     -0.4038000    
 N    2.791000      0.6101000     -0.2180000    
 C    3.804800     -1.5100000E-02  -1.048800    
 C    2.568400     -0.1541000       1.003800    
 C    1.489300      0.4898000       1.874600    
 C   0.1704000      0.5958000       1.144700    
 C    5.118000     -7.5499997E-02 -0.2635000    
 C    3.335600      -1.426800      -1.407900    
 C    3.988800      0.8226000      -2.317200    
 C   -1.487500     -0.2594000      7.7600002E-02
 C   -1.719700       1.110300      0.1488000    
 C  -0.6145000       1.652700      0.8563000    
 C   -2.344900      -1.166100     -0.5432000    
 C   -2.888900       1.624800     -0.4383000    
 C   -2.074800      -2.629400     -0.6085000    
 C   -3.501200     -0.6329000      -1.120300    
 C   -3.770500      0.7373000      -1.070500    
 C   -2.660700      -3.383800      0.5832000    
 H    2.250800      -1.184400      0.8121000    
 H    3.464700     -0.2145000       1.630400    
 H    1.816600       1.487700       2.192300    
 H    3.063200       1.563700      1.9700000E-02
 H    5.121600     -0.8292000      0.5308000    
 H    5.944200     -0.3470000     -0.9329000    
 H    5.376200      0.8951000      0.1769000    
 H    2.299800      -1.433400      -1.769000    
 H    3.423000      -2.144200     -0.5851000    
 H    3.953100      -1.833300      -2.219000    
 H    4.315500       1.842300      -2.080700    
 H    4.743100      0.3804000      -2.978100    
 H    3.054300      0.8955000      -2.886000    
 H  -0.4365000       2.688000       1.110000    
 H   -2.479600      -3.045400      -1.539300    
 H  -0.9927000      -2.805300     -0.6470000    
 H   -4.212900      -1.287500      -1.619100    
 H   0.6588000      0.1866000       3.619100    
 H   -4.680500       1.116200      -1.529900    
 H   -2.240400      -3.019600       1.526800    
 H   -2.437700      -4.452200      0.5006000    
 H   -3.748400      -3.265000      0.6307000    
 H   -2.468300       3.422900      6.9399998E-02


%chk=000173807-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173807

0 1
O -0.241631 -0.575596 0.758836
O 1.274874 0.003794 3.356056
O -3.208457 2.875849 -0.774299
N 3.086370 0.760554 0.194430
C 3.622784 0.011548 -0.986413
C 2.652617 0.010684 1.386818
C 1.447495 0.709032 2.062081
C 0.201417 0.690615 1.233061
C 4.830913 -0.899905 -0.611426
C 2.491211 -0.840254 -1.615370
C 4.077273 1.082374 -2.008136
C -1.411640 -0.330094 0.004155
C -1.692482 1.066069 0.009400
C -0.647698 1.692846 0.802987
C -2.174297 -1.313734 -0.654766
C -2.831908 1.521791 -0.706437
C -1.822487 -2.790068 -0.604358
C -3.297057 -0.803874 -1.352867
C -3.627510 0.577888 -1.382774
C -2.061738 -3.424529 0.792005
H 2.335574 -1.005166 1.100318
H 3.437422 -0.101116 2.166537
H 1.694928 1.777185 2.243531
H 3.702043 1.547957 0.436895
H 4.542386 -1.641097 0.156496
H 5.202228 -1.454625 -1.493476
H 5.666555 -0.296034 -0.208491
H 1.626491 -0.198382 -1.857553
H 2.142247 -1.636217 -0.932779
H 2.849811 -1.325849 -2.541497
H 4.877173 1.722022 -1.585205
H 4.475160 0.606165 -2.921803
H 3.226460 1.728676 -2.287325
H -0.511283 2.751269 1.023759
H -2.420314 -3.329779 -1.362321
H -0.757553 -2.928193 -0.876736
H -3.937404 -1.507744 -1.897108
H 0.402843 0.265441 3.747634
H -4.503072 0.929753 -1.936002
H -1.440297 -2.927974 1.557540
H -1.800337 -4.498662 0.781857
H -3.120736 -3.329707 1.092590
H -2.570574 3.444588 -0.277242


