%chk=000081552.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081552

0 1
 O   0.1322000      -1.695700      1.3000000E-02
 O  -0.5021000       2.057200      -1.169000    
 O   -3.300700      -1.276200       1.464900    
 O   0.4947000      -1.982700      -2.281800    
 N   -1.430800      0.3517000      0.1478000    
 C    3.338500      0.9716000      0.1088000    
 C    3.552400     -0.4097000      0.3302000    
 C   0.9603000      0.5450000     -0.1760000    
 C    2.036100       1.432900     -0.1431000    
 C    1.170700     -0.8133000      4.1499998E-02
 C    2.458000      -1.289000      0.2930000    
 C    4.433000       1.850800      0.1460000    
 C    4.854800     -0.8713000      0.5817000    
 C  -0.3758000       1.060900     -0.4407000    
 C   -2.821900      0.6004000      4.9199998E-02
 C    5.720000       1.374700      0.3979000    
 C    5.930600      1.6400000E-02  0.6151000    
 C   -3.719600     -0.2202000      0.7113000    
 C   -3.252000       1.672000     -0.7161000    
 C   -5.086400      3.7700001E-02  0.6054000    
 C   -4.618900       1.929800     -0.8222000    
 C   -5.536000       1.112700     -0.1614000    
 C  -0.1220000      -2.238900      -1.256100    
 C   -1.277100      -3.193000      -1.182600    
 C   -3.037900      -1.023800       2.843300    
 H    1.870300       2.496600     -0.3074000    
 H    2.607200      -2.354100      0.4621000    
 H    4.292200       2.916700     -2.1199999E-02
 H    5.042800      -1.929000      0.7544000    
 H   -1.196300     -0.4396000      0.7422000    
 H    6.558000       2.065300      0.4240000    
 H    6.932800     -0.3534000      0.8109000    
 H   -2.612500       2.351500      -1.258100    
 H   -5.807000     -0.5951000       1.116500    
 H   -4.970600       2.766500      -1.418900    
 H   -6.600200       1.313300     -0.2442000    
 H   -1.112400      -3.914700     -0.3785000    
 H   -1.352900      -3.742700      -2.125100    
 H   -2.203500      -2.638900      -1.017900    
 H   -3.956800     -0.7259000       3.358000    
 H   -2.274700     -0.2479000       2.960200    
 H   -2.667900      -1.947900       3.295700    


%chk=000081552-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000081552

0 1
O 0.220932 -1.608890 0.221435
O -0.384266 2.507730 -0.781132
O -3.189937 -1.136414 1.050915
O 1.091943 -3.265484 -1.213932
N -1.415034 0.581927 0.068480
C 3.499782 1.104348 -0.084149
C 3.751592 -0.300078 0.163000
C 1.055040 0.675856 -0.141719
C 2.151671 1.547086 -0.228514
C 1.339264 -0.717028 0.094865
C 2.638332 -1.193393 0.247440
C 4.611182 2.007385 -0.174567
C 5.103899 -0.752286 0.310376
C -0.305357 1.322338 -0.322437
C -2.771042 0.993430 0.036454
C 5.918699 1.540729 -0.026634
C 6.165729 0.150615 0.217913
C -3.733686 0.077993 0.570651
C -3.228322 2.234779 -0.474856
C -5.104972 0.397170 0.597106
C -4.605913 2.549251 -0.450223
C -5.543434 1.640867 0.082729
C 0.188338 -2.871522 -0.460661
C -1.081827 -3.596028 -0.088639
C -4.085733 -2.030793 1.788284
H 1.931225 2.601976 -0.425896
H 2.815799 -2.258731 0.415560
H 4.416451 3.069394 -0.363441
H 5.293801 -1.816445 0.492189
H -1.240371 -0.366682 0.427267
H 6.763066 2.234603 -0.098141
H 7.197010 -0.201453 0.330256
H -2.492275 2.933100 -0.874970
H -5.834056 -0.306997 1.008581
H -4.939760 3.512826 -0.849009
H -6.610009 1.888380 0.102237
H -0.980358 -4.007016 0.933036
H -1.250095 -4.424660 -0.791561
H -1.937192 -2.900931 -0.084340
H -4.884829 -2.428891 1.133604
H -4.537434 -1.511335 2.654319
H -3.449250 -2.856025 2.140925


