%chk=000065399.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065399

0 1
 O    2.598600      0.4503000       1.017600    
 O    2.304700      -2.187000      -1.407100    
 O    4.496600      -1.770800      0.1446000    
 O    3.883500       2.916300      0.6566000    
 N   0.4520000     -0.1851000      0.2310000    
 N  -0.7061000      -2.349700      0.4678000    
 N   -3.991300      0.2935000     -0.1061000    
 N   -3.668800       1.650200     -0.2793000    
 N   -3.157300      -2.029300      0.2741000    
 N   -1.997500       3.353700     -0.4202000    
 C    1.846500     -0.5968000      0.3748000    
 C    2.550100     -0.8744000     -0.9449000    
 C    3.999700     -0.6386000     -0.5692000    
 C    3.898800      0.5426000      0.3909000    
 C  -0.6401000      -1.020300      0.2829000    
 C    3.998300       1.889000     -0.3124000    
 C   2.9500000E-02   1.125600      1.9400001E-02
 C   -1.724500     -0.2089000      0.1019000    
 C   -1.344000       1.114400     -6.2799998E-02
 C   -3.014700     -0.6910000      9.2600003E-02
 C   -2.418500       2.063100     -0.2622000    
 C   -2.010500      -2.757600      0.4468000    
 C   -5.385200     -8.9199997E-02 -0.1368000    
 H    1.852300      -1.467100       1.042500    
 H    2.238700     -0.1654000      -1.720600    
 H    4.659500     -0.4644000      -1.424000    
 H    4.640400      0.4846000       1.195800    
 H    3.197900       2.031800      -1.045000    
 H    4.961900       1.998900     -0.8183000    
 H   0.7448000       1.933000     -5.7399999E-02
 H    2.506400      -2.807700     -0.6868000    
 H    4.577300      -2.501100     -0.4924000    
 H    3.025600       2.805600       1.101100    
 H   -2.161500      -3.823300      0.5890000    
 H   -6.030700      0.7810000     -0.2985000    
 H   -5.682000     -0.5512000      0.8109000    
 H   -5.575000     -0.7989000     -0.9492000    
 H   -1.019000       3.621900     -0.3993000    
 H   -2.668000       4.100900     -0.5669000    


%chk=000065399-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000065399

0 1
O 2.730404 1.065577 0.549623
O 2.187149 -2.534706 0.001658
O 4.458776 -1.658379 1.063720
O 4.432706 2.871042 -0.742504
N 0.502070 0.217989 0.409157
N -0.405354 -2.075625 -0.200352
N -3.977291 0.156362 -0.375890
N -3.912354 1.549062 -0.084829
N -2.854395 -2.014960 -0.617639
N -2.755416 3.477647 0.503972
C 1.902442 -0.129439 0.698167
C 2.493258 -1.161023 -0.307538
C 4.010811 -0.917690 -0.112039
C 4.124576 0.595012 0.167384
C -0.472341 -0.717450 0.054331
C 4.545308 1.442983 -1.038191
C -0.106679 1.495215 0.579453
C -1.675896 -0.012415 -0.010040
C -1.480935 1.360170 0.306947
C -2.869343 -0.658758 -0.348862
C -2.728449 2.121588 0.238040
C -1.626865 -2.622347 -0.521550
C -5.317453 -0.345470 -0.714733
H 1.985376 -0.528232 1.730725
H 2.180698 -0.872330 -1.333486
H 4.588450 -1.222881 -1.007548
H 4.780506 0.777345 1.035660
H 3.933542 1.171521 -1.926315
H 5.610110 1.269744 -1.268876
H 0.514052 2.341852 0.858099
H 1.154520 -2.635011 -0.086405
H 3.921491 -2.501530 1.065867
H 3.522509 3.021640 -0.376715
H -1.618763 -3.695829 -0.731596
H -6.015847 0.496446 -0.616433
H -5.604785 -1.162842 -0.031742
H -5.335498 -0.735833 -1.746995
H -1.911243 3.975050 0.767396
H -3.641446 3.975107 0.450978


