%chk=000050811.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050811

0 1
 O  -0.5299000     -0.1744000     -0.1154000    
 O   -1.574500      -2.157400     -0.6407000    
 N    3.159800     -0.5389000     -0.1120000    
 N   -6.368300     -0.7971000      0.7913000    
 C    1.893400      0.1871000      5.0299998E-02
 C   0.7439000     -0.7976000     -0.2304000    
 C    4.287100      0.3410000      0.1417000    
 C    1.881600       1.355600     -0.9448000    
 C    1.807300      0.7335000       1.483000    
 C    5.601700     -0.4201000     -2.1900000E-02
 C    6.803300      0.4941000      0.2203000    
 C    8.115000     -0.2642000      9.4099998E-02
 C   -1.608000     -0.9723000     -0.3474000    
 C   -2.870800     -0.2057000     -0.1981000    
 C   -4.007000     -0.8661000      0.2225000    
 C   -2.869100       1.144000     -0.4856000    
 C   -5.193100     -0.1456000      0.3619000    
 C   -4.055100       1.864600     -0.3463000    
 C   -5.217200       1.219700      7.7500001E-02
 H    3.191000      -1.331200      0.5294000    
 H   0.7894000      -1.635800      0.4781000    
 H   0.8442000      -1.204500      -1.245700    
 H    4.286400      0.7439000       1.158600    
 H    4.330000       1.175800     -0.5635000    
 H   0.8774000       1.791900      -1.011400    
 H    2.149100       1.028400      -1.956700    
 H    2.538500       2.184400     -0.6604000    
 H    2.474100       1.581300       1.671500    
 H   0.7969000       1.105800       1.691600    
 H    2.016100     -4.5299999E-02   2.226100    
 H    5.634900      -1.260600      0.6832000    
 H    5.664300     -0.8442000      -1.032200    
 H    6.794900       1.320500     -0.5000000    
 H    6.741100      0.9356000       1.221700    
 H    8.960200      0.4086000      0.2697000    
 H    8.170300      -1.077100      0.8253000    
 H    8.224900     -0.6938000     -0.9067000    
 H   -3.987200      -1.929400      0.4474000    
 H   -1.981800       1.666700     -0.8300000    
 H   -4.074900       2.927100     -0.5707000    
 H   -6.135400       1.792200      0.1816000    
 H   -6.352100      -1.787300      0.9965000    
 H   -7.228700     -0.2751000      0.8911000    


%chk=000050811-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050811

0 1
O -0.502192 -0.002972 -0.060438
O -1.445322 -2.132095 -0.094240
N 3.201852 -0.284978 0.068168
N -6.503625 -1.140718 0.156510
C 1.906998 0.466483 0.120712
C 0.845934 -0.626200 -0.149316
C 4.466488 0.485713 0.027693
C 1.857294 1.521313 -1.008924
C 1.653650 1.136750 1.501384
C 5.675286 -0.471743 0.048547
C 7.030174 0.269884 -0.004951
C 8.237921 -0.691605 0.016551
C -1.587844 -0.883127 -0.048233
C -2.896004 -0.167908 0.026402
C -4.064846 -0.963500 0.055908
C -2.981688 1.248449 0.065852
C -5.348669 -0.358436 0.126764
C -4.257343 1.848245 0.135787
C -5.429624 1.065737 0.166677
H 3.236775 -0.982400 0.828090
H 0.905498 -1.446191 0.591833
H 0.980121 -1.054694 -1.157614
H 4.570078 1.213732 0.871424
H 4.493740 1.074276 -0.908147
H 0.830901 1.914931 -1.102449
H 2.149406 1.066283 -1.972505
H 2.531991 2.370951 -0.802640
H 2.451649 1.866933 1.729284
H 0.684283 1.664654 1.516434
H 1.639189 0.377704 2.307355
H 5.638882 -1.094719 0.968491
H 5.589487 -1.168766 -0.807913
H 7.068472 0.892413 -0.922130
H 7.099520 0.971983 0.851102
H 9.195186 -0.140440 -0.027022
H 8.241283 -1.303202 0.938627
H 8.206764 -1.385259 -0.844618
H -3.954173 -2.053680 0.022351
H -2.070100 1.849451 0.040640
H -4.343536 2.940242 0.166402
H -6.412090 1.551219 0.221289
H -6.445222 -2.154212 0.127776
H -7.422845 -0.712399 0.207588


