%chk=000166926.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166926

0 1
 O  -0.9486000      0.7393000     -0.6017000    
 O  -0.2317000      -1.298800       1.500000    
 N   0.4897000       3.258100     -0.1211000    
 C  -9.6100003E-02  0.9281000      0.5395000    
 C    1.013300       1.920700      0.1522000    
 C  -0.9969000       1.427400       1.668500    
 C   0.4217000     -0.4871000      0.8440000    
 C    1.737000     -0.9370000      0.3356000    
 C  -0.4429000       3.222000      -1.247300    
 C    1.583300       4.190100     -0.3934000    
 C   -2.007600     -0.1024000     -0.4300000    
 C    2.862700     -0.7313000       1.110500    
 C    1.804400      -1.550800     -0.9007000    
 C   -3.229800      0.3997000      1.3100000E-02
 C   -1.864700      -1.462700     -0.6973000    
 C    4.102100      -1.155200      0.6311000    
 C    3.043800      -1.974800      -1.380200    
 C    4.192700      -1.776900     -0.6141000    
 C   -4.312800     -0.4614000      0.1896000    
 C   -2.947700      -2.323800     -0.5209000    
 C   -4.171800      -1.823200     -7.7299997E-02
 H    1.564100       1.558300     -0.7261000    
 H    1.727000       1.983200      0.9835000    
 H   -1.658200      0.6635000       2.090700    
 H   -1.611200       2.285900       1.379400    
 H  -0.3725000       1.752600       2.510700    
 H   -1.447400       2.918300     -0.9432000    
 H  -8.5400000E-02   2.618100      -2.089300    
 H  -0.5962000       4.236600      -1.639000    
 H    1.199100       5.206600     -0.5342000    
 H    2.153900       3.909100      -1.286100    
 H    2.273100       4.235200      0.4569000    
 H    2.798700     -0.2492000       2.081600    
 H   0.9454000      -1.688300      -1.540000    
 H   -3.368900       1.461200      0.1942000    
 H  -0.9550000      -1.883700      -1.091500    
 H    4.996700      -1.000800       1.227300    
 H    3.116300      -2.450900      -2.353700    
 H    5.158000      -2.105000     -0.9884000    
 H   -5.268200     -7.0400000E-02  0.5270000    
 H   -2.842000      -3.382200     -0.7406000    
 H   -5.016400      -2.493000      5.5700000E-02


%chk=000166926-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166926

0 1
O -0.803617 0.715444 -0.388916
O 1.225700 0.014450 2.525865
N 0.280661 3.586898 -0.136153
C 0.041988 1.189204 0.752946
C 0.956531 2.310923 0.124765
C -0.836323 1.768562 1.869958
C 1.013375 0.078439 1.276151
C 1.770431 -0.821773 0.339055
C -0.416186 3.660763 -1.435291
C 1.101689 4.778116 0.149286
C -1.740484 -0.329005 -0.232456
C 2.723008 -1.703216 0.927128
C 1.608703 -0.832018 -1.075860
C -2.638664 -0.474258 -1.318988
C -1.805744 -1.219430 0.868121
C 3.493814 -2.568608 0.129655
C 2.384390 -1.701315 -1.872557
C 3.327337 -2.569861 -1.277224
C -3.596150 -1.508680 -1.307500
C -2.773180 -2.250473 0.865353
C -3.671610 -2.404247 -0.213469
H 1.429410 1.889271 -0.792273
H 1.768223 2.490687 0.854551
H -1.581311 1.041077 2.229022
H -1.341603 2.665554 1.479426
H -0.206789 2.053562 2.728545
H -1.075528 2.787201 -1.548797
H 0.289960 3.684218 -2.303934
H -1.033114 4.576882 -1.471972
H 0.475269 5.684590 0.062983
H 1.971472 4.899782 -0.544374
H 1.488954 4.733074 1.182457
H 2.836705 -1.683135 2.016017
H 0.861746 -0.186515 -1.543770
H -2.570421 0.227759 -2.156351
H -1.121739 -1.132749 1.716027
H 4.222349 -3.240318 0.596669
H 2.246974 -1.705535 -2.959354
H 3.924803 -3.244315 -1.901168
H -4.285762 -1.612565 -2.152786
H -2.817152 -2.937155 1.718201
H -4.417113 -3.206186 -0.203990


