%chk=000051232.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051232

0 1
 S    4.236000       2.226800     -5.2600000E-02
 N    1.382100      -1.847000     -0.3942000    
 N   0.1528000      0.1893000     -0.2188000    
 N    2.491000      0.2336000     -0.2931000    
 N   -3.714100      -1.194100      0.6473000    
 N    1.804200       2.201000      0.8240000    
 C    2.684800      -2.484600     -0.5210000    
 C    3.533100      -2.093300      0.6886000    
 C    2.465000      -3.996600     -0.5573000    
 C    3.333300      -2.003800      -1.818700    
 C   -1.161800     -0.2529000      6.2399998E-02
 C    1.331800     -0.5446000     -0.3396000    
 C   -2.284400      0.5251000     -0.2516000    
 C   -3.559100      8.8999998E-03  6.2700003E-02
 C   -1.318400      -1.493000      0.6648000    
 C   -2.605000      -1.913600      0.9338000    
 C   -2.159500       1.784700     -0.8618000    
 C   -4.673900      0.7823000     -0.2494000    
 C   -3.291400       2.536800      -1.162800    
 C   -4.549900       2.034600     -0.8560000    
 C   -2.821800      -3.240900       1.580900    
 C    2.705800       1.499100      0.1861000    
 C    3.663600       3.620200      0.7674000    
 C    2.356100       3.422100       1.158900    
 H    2.923100      -1.938100       1.587000    
 H    4.222400      -2.913600      0.9314000    
 H    4.197500      -1.234800      0.5691000    
 H    1.807900      -4.281000      -1.387600    
 H    1.986400      -4.345600      0.3653000    
 H    3.410500      -4.537900     -0.6730000    
 H    2.728300      -1.302800      -2.404900    
 H    4.332600      -1.578000      -1.670900    
 H    3.498800      -2.852700      -2.496000    
 H   0.2425000       1.192400     -0.3285000    
 H  -0.4931000      -2.118700      0.9779000    
 H   -1.200600       2.215800      -1.132000    
 H    3.329600     -0.1384000     -0.7094000    
 H   -5.671000      0.4113000     -1.9400001E-02
 H   -3.191800       3.508600      -1.636700    
 H   -5.438600       2.614400      -1.087900    
 H   -3.889300      -3.439800       1.722800    
 H   -2.410000      -4.040600      0.9571000    
 H   -2.339900      -3.268800       2.563300    
 H    4.289200       4.487900      0.9196000    
 H    1.754100       4.143100       1.695200    


%chk=000051232-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051232

0 1
S 4.245676 2.655822 -0.370684
N 1.553413 -1.810343 -0.075603
N 0.249238 0.184688 -0.054954
N 2.601392 0.384910 -0.203378
N -3.768842 -1.293367 0.248177
N 1.574382 2.572695 -0.200477
C 2.800410 -2.629900 -0.116806
C 3.709224 -2.372111 1.123300
C 2.311723 -4.101593 -0.056958
C 3.590126 -2.440754 -1.448477
C -1.055885 -0.333433 0.044692
C 1.458419 -0.511444 -0.107785
C -2.157506 0.617375 0.098589
C -3.494792 0.070668 0.199647
C -1.356399 -1.703336 0.093632
C -2.717291 -2.139716 0.195707
C -1.999604 2.040684 0.058441
C -4.612413 0.963351 0.254885
C -3.111451 2.888325 0.114214
C -4.429449 2.347517 0.212975
C -3.020646 -3.623866 0.249935
C 2.632022 1.764185 -0.244237
C 3.290067 4.190836 -0.353619
C 1.941119 3.923198 -0.261186
H 3.118000 -2.481014 2.049605
H 4.531283 -3.110222 1.147554
H 4.170560 -1.366191 1.139052
H 1.653649 -4.316394 -0.917047
H 1.729069 -4.267850 0.865857
H 3.163197 -4.806453 -0.073939
H 2.907522 -2.557097 -2.308695
H 4.085625 -1.455436 -1.545401
H 4.380714 -3.208834 -1.526223
H 0.357320 1.217759 -0.089941
H -0.539353 -2.423904 0.053477
H -1.003888 2.492707 -0.016388
H 3.496567 -0.098800 -0.249700
H -5.605739 0.510279 0.330995
H -2.970765 3.974628 0.082511
H -5.293161 3.020308 0.255983
H -4.108181 -3.776690 0.326010
H -2.647679 -4.139780 -0.654992
H -2.529526 -4.098660 1.120349
H 3.801515 5.147867 -0.412968
H 1.159242 4.682185 -0.233730


