%chk=000154756.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154756

0 1
 O    4.399400     -0.4174000       1.567600    
 O    4.590400       1.223000      -1.655900    
 N  -0.7517000      0.9613000      0.1201000    
 C    2.590000     -0.6254000      6.3600004E-02
 C    4.051200     -0.2583000      0.1917000    
 C    1.584100      0.3650000      0.1239000    
 C   0.2199000      2.1199999E-02  6.3600004E-02
 C    4.365300       1.181400     -0.2481000    
 C  -0.1125000      -1.340000     -6.4000003E-02
 C   -1.465000      -1.692000     -0.1285000    
 C    2.228100      -1.968300     -5.5900000E-02
 C    1.993600       1.775300      0.2549000    
 C   -2.461200     -0.7146000     -6.8200000E-02
 C   0.8864000      -2.322100     -0.1239000    
 C    3.264600       2.150100      5.9999999E-02
 C   -2.053100      0.6207000      5.8100000E-02
 C   -1.857300      -3.137900     -0.2642000    
 C   -3.827600      -1.040400     -0.1306000    
 C   -3.037100       1.603900      0.1191000    
 C   -4.396000       1.285600      5.7700001E-02
 C   -4.792600     -3.9700001E-02 -6.7400001E-02
 C   -5.419000       2.368500      0.1265000    
 H    4.653700     -0.9650000     -0.3927000    
 H    5.281400       1.531000      0.2428000    
 H    2.987800      -2.745000     -8.4299996E-02
 H    1.241400       2.525600      0.4729000    
 H   0.6786000      -3.384700     -0.1897000    
 H    3.520300       3.204400      0.1195000    
 H   -2.801800      -3.292600     -0.7900000    
 H   -1.162100      -3.704700     -0.8904000    
 H   -1.919400      -3.607500      0.7225000    
 H   -4.200900      -2.055700     -0.2001000    
 H   -2.738100       2.647000      0.2154000    
 H    5.355800     -0.2610000       1.647200    
 H   -5.844900     -0.3062000     -0.1125000    
 H    5.353000      0.6508000      -1.847600    
 H   -6.373300       1.991800      0.5101000    
 H   -5.097100       3.169700      0.8005000    
 H   -5.586300       2.791100     -0.8692000    


%chk=000154756-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154756

0 1
O 4.390311 -0.503378 1.625102
O 4.702758 1.377691 -1.619379
N -0.738294 0.945520 0.088734
C 2.607875 -0.624261 0.046736
C 4.062950 -0.231254 0.201562
C 1.604709 0.356514 0.093505
C 0.207453 -0.040800 0.030186
C 4.385054 1.244469 -0.173213
C -0.135387 -1.453727 -0.089276
C -1.515052 -1.832603 -0.147665
C 2.263042 -2.005890 -0.076858
C 1.962895 1.776294 0.199408
C -2.502771 -0.803602 -0.084916
C 0.934278 -2.414132 -0.143466
C 3.252267 2.203432 0.091839
C -2.056733 0.584821 0.034899
C -1.876987 -3.300974 -0.271651
C -3.925811 -1.037648 -0.129943
C -3.032068 1.641044 0.101232
C -4.399779 1.383655 0.055373
C -4.834263 0.011165 -0.062723
C -5.430869 2.493086 0.125669
H 4.689916 -0.883577 -0.449768
H 5.275915 1.547920 0.425893
H 3.067904 -2.749579 -0.102338
H 1.135462 2.478223 0.335464
H 0.701960 -3.479269 -0.234350
H 3.501999 3.268906 0.130664
H -2.962121 -3.469913 -0.311640
H -1.439150 -3.739808 -1.187832
H -1.482234 -3.878610 0.585189
H -4.307300 -2.059418 -0.218259
H -2.645117 2.661455 0.189453
H 5.360065 -0.337893 1.764948
H -5.910373 -0.199833 -0.099574
H 5.564018 0.916349 -1.800327
H -6.099576 2.361583 0.997860
H -4.955152 3.484469 0.209229
H -6.073793 2.498472 -0.775266


