%chk=000114415.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114415

0 1
 O    2.263300      -3.466400      0.2859000    
 O    2.205800       3.490000     -0.2965000    
 N    1.067600     -2.4999999E-03  7.4000000E-03
 C    1.823100      -1.186700     -0.3503000    
 C    1.803000       1.209500      0.3613000    
 C  -0.3312000     -6.0999999E-03  4.0000002E-03
 C    1.487500      -2.320000      0.6161000    
 C    1.454800       2.325500     -0.6207000    
 C    1.487100      -1.568200      -1.786100    
 C    1.446800       1.600300       1.789600    
 C   -1.042500     -0.3583000       1.158200    
 C   -1.038200      0.3417000      -1.154100    
 C   -2.437400     -0.3626000       1.154400    
 C   -2.433100      0.3376000      -1.158000    
 C   -3.132600     -1.4700000E-02 -3.7000000E-03
 C   -4.624000     -1.9099999E-02 -7.6000001E-03
 H    2.903000     -0.9982000     -0.3090000    
 H    2.886000       1.037300      0.3313000    
 H    1.705700      -2.042100       1.652900    
 H   0.4387000      -2.625700      0.5585000    
 H    1.687300       2.040300      -1.652400    
 H   0.4007000       2.613300     -0.5751000    
 H    1.619200     -0.7179000      -2.464700    
 H   0.4631000      -1.940300      -1.896400    
 H    2.153200      -2.365000      -2.136000    
 H    1.585900      0.7591000       2.477800    
 H   0.4158000       1.956600       1.886300    
 H    2.096300       2.411500       2.137700    
 H  -0.5204000     -0.6334000       2.071100    
 H  -0.5135000      0.6199000      -2.064600    
 H   -2.971000     -0.6373000       2.060400    
 H   -2.963500      0.6124000      -2.065900    
 H    3.200300      -3.221500      0.3741000    
 H    3.147900       3.261600     -0.3730000    
 H   -5.016000     -0.2580000      -1.002100    
 H   -5.018600     -0.7735000      0.6816000    
 H   -5.003200      0.9628000      0.2924000    


%chk=000114415-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000114415

0 1
O 3.133808 -3.040057 0.621462
O 3.094153 3.081975 -0.610836
N 0.914114 0.006126 0.002177
C 1.725271 -1.194657 -0.347777
C 1.703971 1.220499 0.353583
C -0.508183 -0.004506 -0.003590
C 2.070543 -2.061320 0.901896
C 2.045507 2.088947 -0.895768
C 1.148200 -2.043931 -1.497588
C 1.105051 2.064300 1.496265
C -1.248804 -1.122506 0.482127
C -1.261419 1.101062 -0.498989
C -2.658364 -1.134059 0.458244
C -2.671004 1.090536 -0.489495
C -3.405122 -0.026016 -0.015443
C -4.924096 -0.024389 0.007070
H 2.697845 -0.795599 -0.715853
H 2.679593 0.837558 0.730664
H 2.346502 -1.397271 1.749015
H 1.212608 -2.680803 1.207776
H 2.335136 1.427277 -1.740154
H 1.181315 2.696717 -1.207676
H 1.074365 -1.447622 -2.424175
H 0.142470 -2.430888 -1.265030
H 1.815632 -2.905436 -1.675059
H 1.032522 1.469417 2.423891
H 0.095632 2.435736 1.254420
H 1.758094 2.936118 1.677104
H -0.720425 -1.981950 0.905134
H -0.742001 1.963879 -0.926172
H -3.187988 -2.017765 0.836427
H -3.210892 1.962465 -0.880457
H 3.972140 -2.555603 0.410279
H 3.936543 2.608763 -0.390459
H -5.340059 0.600657 -0.803404
H -5.332424 -1.044318 -0.107822
H -5.313334 0.378566 0.963012


