%chk=000117393.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117393

0 1
 O   -3.977500      -2.345100       1.177700    
 O   -5.823700      -1.573600     -0.7508000    
 N    3.477600      0.8613000     -0.9423000    
 N   0.5672000       2.736100      0.4244000    
 C    2.256700       1.056500     -0.1735000    
 C    2.504700      0.7149000       1.299400    
 C    1.792800       2.501500     -0.3246000    
 C    2.999900     -0.7250000       1.433200    
 C    4.150400     -0.9948000      0.4955000    
 C    4.323000     -0.2063000     -0.6595000    
 C  -0.4903000       1.821200     -1.2400000E-02
 C   -1.743900       1.982200      0.8481000    
 C    5.023100      -2.061100      0.7558000    
 C   0.1268000       4.125200      0.2754000    
 C    5.408700     -0.4798000      -1.504300    
 C    6.085900      -2.327400     -0.1047000    
 C    6.281600      -1.534400      -1.231400    
 C   -2.833000       1.029700      0.4230000    
 C   -2.901500     -0.2282000       1.002400    
 C   -3.747400       1.427500     -0.5404000    
 C   -3.908600      -1.109500      0.6088000    
 C   -4.754400      0.5464000     -0.9341000    
 C   -4.835100     -0.7221000     -0.3594000    
 C   -3.252700      -3.394400      0.5389000    
 C   -6.730200      -1.100800      -1.745500    
 H    1.540300      0.3515000     -0.6061000    
 H    3.257800       1.395800       1.719700    
 H    1.598100      0.8262000       1.904100    
 H    1.652300       2.734400      -1.389500    
 H    2.584400       3.172000      3.6899999E-02
 H    3.307700     -0.9005000       2.470600    
 H    2.187200      -1.423400       1.199400    
 H    3.578100       1.330000      -1.835500    
 H  -0.2039000      0.7735000      0.1087000    
 H  -0.7296000       1.968500      -1.074300    
 H   -2.159800       2.994200      0.7888000    
 H   -1.504800       1.817100       1.907400    
 H    4.880600      -2.684900       1.634500    
 H  -0.2587000       4.337600     -0.7285000    
 H  -0.6297000       4.395800       1.017800    
 H   0.9621000       4.811300      0.4620000    
 H    5.579300      0.1274000      -2.390700    
 H    6.762100      -3.150800      0.1053000    
 H    7.113100      -1.736600      -1.900300    
 H   -2.179900     -0.5328000       1.756000    
 H   -3.690600       2.412500     -0.9952000    
 H   -5.438100      0.9146000      -1.691100    
 H   -3.412400      -4.315600       1.105800    
 H   -3.613600      -3.545400     -0.4834000    
 H   -2.181400      -3.169900      0.5300000    
 H   -7.305500     -0.2391000      -1.390300    
 H   -6.219900     -0.8997000      -2.693500    
 H   -7.448100      -1.905500      -1.935600    


%chk=000117393-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117393

0 1
O -3.818661 -2.694826 0.413681
O -6.162363 -1.572595 -0.760972
N 3.464088 0.437101 -0.908956
N 0.566302 2.607565 0.161650
C 2.431534 0.927942 0.017739
C 3.069497 1.178632 1.400545
C 1.790616 2.209200 -0.569934
C 3.755436 -0.104969 1.919690
C 4.720941 -0.677705 0.886607
C 4.522716 -0.386281 -0.501192
C -0.635862 1.842717 -0.251887
C -1.713989 1.756481 0.862861
C 5.811538 -1.491491 1.261261
C 0.342516 4.067990 0.167224
C 5.419572 -0.931513 -1.464341
C 6.700282 -2.038445 0.306790
C 6.493556 -1.750505 -1.063302
C -2.903484 0.909862 0.435854
C -2.867439 -0.501308 0.566019
C -4.053919 1.492860 -0.144840
C -3.937348 -1.318799 0.148139
C -5.141535 0.694693 -0.567343
C -5.102770 -0.710852 -0.416096
C -4.092289 -3.638561 -0.689450
C -7.398269 -0.956447 -1.247960
H 1.630263 0.162338 0.150763
H 3.818187 1.989750 1.304458
H 2.279521 1.520747 2.092115
H 1.587997 2.053131 -1.663238
H 2.532561 3.026707 -0.500754
H 4.294991 0.104339 2.862624
H 2.977290 -0.857136 2.167313
H 3.286959 0.528050 -1.909989
H -0.325864 0.813345 -0.508682
H -1.099355 2.275956 -1.175005
H -2.056738 2.774985 1.125191
H -1.230328 1.334467 1.763058
H 5.964592 -1.703128 2.327894
H 0.119053 4.485578 -0.847221
H -0.504876 4.319039 0.828468
H 1.236823 4.580450 0.562577
H 5.269491 -0.706604 -2.528639
H 7.535918 -2.671103 0.623681
H 7.170800 -2.161080 -1.821400
H -2.001600 -1.003317 1.012742
H -4.111413 2.581841 -0.260091
H -6.024765 1.177899 -0.996253
H -3.882978 -4.633111 -0.266645
H -5.140675 -3.568108 -1.021067
H -3.411927 -3.443230 -1.541481
H -7.823721 -0.264847 -0.495254
H -7.233476 -0.414250 -2.199646
H -8.090192 -1.795253 -1.414608


