%chk=000041866.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041866

0 1
 O  -0.2132000      0.1252000      -2.391700    
 O  -0.2016000      6.4300001E-02   2.401600    
 O   -3.570900       2.076700      3.8100000E-02
 N   -1.892900       1.057900      -1.150400    
 N   -1.888700       1.025600       1.192500    
 C  -0.1369000     -0.2510000      3.9999999E-04
 C  -0.3968000      -1.763800     -1.8600000E-02
 C    1.347600     -1.5500000E-02 -9.9999997E-05
 C   -1.884000      -2.044800     -5.9400000E-02
 C  -0.7269000      0.3266000      -1.289300    
 C  -0.7211000      0.2929000       1.307100    
 C    1.836200       1.283600     -5.9300002E-02
 C    2.214300      -1.099600      5.8400001E-02
 C   -2.136800      -3.543300     -5.2700002E-02
 C   -2.525500       1.424200      2.7400000E-02
 C    3.213900       1.502200     -6.0100000E-02
 C    3.591900     -0.8811000      5.7599999E-02
 C    4.091600      0.4199000     -1.6000000E-03
 H  -4.9000001E-03  -2.254200      0.8836000    
 H   4.7400001E-02  -2.242400     -0.9029000    
 H   -2.351700      -1.638200     -0.9616000    
 H   -2.404000      -1.621000      0.8054000    
 H   -2.319600       1.390400      -2.010700    
 H   -2.312200       1.334800       2.063000    
 H    1.166200       2.138000     -0.1022000    
 H    1.920900      -2.140100      0.1109000    
 H   -1.677500      -4.025700     -0.9216000    
 H   -1.733500      -4.008700      0.8526000    
 H   -3.212300      -3.745800     -8.4600002E-02
 H    3.603100       2.515200     -0.1054000    
 H    4.277000      -1.722700      0.1043000    
 H    5.164200      0.5900000     -1.7000000E-03


%chk=000041866-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041866

0 1
O -0.627203 -0.340663 -2.442793
O -0.647825 -0.370758 2.420428
O -2.703011 3.019269 0.001003
N -1.588362 1.342281 -1.186790
N -1.596434 1.329046 1.177562
C -0.242876 -0.437785 -0.010030
C -0.509733 -1.973227 -0.020427
C 1.275696 -0.073691 -0.000574
C -2.008119 -2.350595 -0.032633
C -0.826307 0.162824 -1.310318
C -0.837059 0.147028 1.292720
C 1.662018 1.292973 -0.000624
C 2.282889 -1.066886 0.009738
C -2.204889 -3.881838 -0.039356
C -2.006890 1.974131 -0.002411
C 3.024319 1.657344 0.009014
C 3.648075 -0.701300 0.019402
C 4.025320 0.659431 0.019112
H -0.035038 -2.405490 0.878927
H -0.022242 -2.395770 -0.917548
H -2.499537 -1.919011 -0.927100
H -2.512597 -1.925074 0.857524
H -1.917030 1.773447 -2.057495
H -1.930935 1.750411 2.050826
H 0.904737 2.086249 -0.008572
H 2.018193 -2.127064 0.010289
H -1.735671 -4.338133 -0.930897
H -1.751721 -4.344089 0.857391
H -3.277429 -4.146842 -0.049863
H 3.303054 2.716769 0.008612
H 4.415634 -1.482939 0.027222
H 5.084273 0.939552 0.026661


