%chk=000052783.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052783

0 1
 N   -4.693300     -0.2018000      0.2085000    
 C   -3.463400      0.6113000      0.3502000    
 C   -2.259900     -0.2140000      0.8276000    
 C   -3.094000       1.262600     -0.9979000    
 C   0.1463000     -0.1433000       1.544300    
 C   -1.048000      0.6769000       1.046300    
 C   -4.240600       2.091600      -1.562100    
 C   -5.817700      0.6148000     -0.2819000    
 C   -5.507600       1.253900      -1.633600    
 C    1.304200      0.6954000       2.128500    
 C   0.5472000      -1.261000      0.5886000    
 C    1.870000       1.840500       1.285800    
 C   -5.083700     -0.8533000       1.462200    
 C    1.158600      -1.088500     -0.6711000    
 C    3.056900       1.437500      0.4453000    
 C    1.567600      0.2481000      -1.242300    
 C    2.915900      0.7072000     -0.7475000    
 C   0.2518000      -2.580200       1.006600    
 C    1.458400      -2.227500      -1.451900    
 C    4.346300       1.799400      0.8756000    
 C   0.5523000      -3.691200      0.2190000    
 C    4.064600      0.3579000      -1.480300    
 C    1.157600      -3.514500      -1.014100    
 C    5.475800       1.449400      0.1368000    
 C    5.334800      0.7288000      -1.042800    
 H   -3.650500       1.410800       1.081600    
 H   -2.054500      -1.000400      9.2200004E-02
 H   -2.483000     -0.7087000       1.778800    
 H   -2.807900      0.4929000      -1.726600    
 H   -2.250700       1.951300     -0.9050000    
 H  -0.2329000     -0.6524000       2.445200    
 H   -1.293700       1.445300       1.790600    
 H  -0.7708000       1.201700      0.1376000    
 H   -3.980800       2.465600      -2.558600    
 H   -4.412500       2.966700     -0.9234000    
 H   -6.074600       1.396600      0.4453000    
 H   -6.706800     -1.5400000E-02 -0.4078000    
 H   -6.349000       1.881200      -1.948900    
 H   -5.389300      0.4712000      -2.393600    
 H    2.111300      2.9600000E-02   2.462600    
 H   0.9088000       1.160300       3.043700    
 H    2.198200       2.629200       1.977300    
 H    1.109700       2.329400      0.6693000    
 H   -4.376600      -1.639600       1.742300    
 H   -6.048500      -1.362400       1.350200    
 H   -5.171500     -0.1396000       2.288900    
 H   0.8084000       1.012600      -1.080300    
 H    1.598700      0.1799000      -2.339700    
 H  -0.2269000      -2.757600       1.968100    
 H    1.939700      -2.113000      -2.421400    
 H    4.480000       2.359900       1.798200    
 H   0.3115000      -4.689300      0.5721000    
 H    3.974100     -0.2133000      -2.401500    
 H    1.397900      -4.372200      -1.634700    
 H    6.463300       1.738200      0.4841000    
 H    6.211400      0.4516000      -1.620500    


%chk=000052783-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052783

0 1
N -4.748906 -0.197866 0.082068
C -3.557800 0.686589 0.293343
C -2.294968 -0.142582 0.640599
C -3.333977 1.552879 -0.972899
C 0.149841 -0.096644 1.491281
C -1.023130 0.711912 0.853625
C -4.586679 2.367079 -1.359688
C -5.972424 0.591764 -0.223727
C -5.803024 1.430596 -1.502939
C 1.264079 0.830103 2.083155
C 0.616717 -1.283483 0.629626
C 1.955000 1.900435 1.181881
C -5.007441 -1.135584 1.196810
C 1.267200 -1.182526 -0.640549
C 3.177535 1.421375 0.409708
C 1.703484 0.145792 -1.267681
C 3.066648 0.609758 -0.756301
C 0.334518 -2.584369 1.129274
C 1.584920 -2.370206 -1.349827
C 4.470456 1.794694 0.859717
C 0.665209 -3.759131 0.421168
C 4.242500 0.203882 -1.434673
C 1.293013 -3.651744 -0.838255
C 5.638549 1.378040 0.183981
C 5.523871 0.578226 -0.975065
H -3.757437 1.384794 1.157008
H -2.128116 -0.889429 -0.159756
H -2.473830 -0.710126 1.574583
H -3.056251 0.875540 -1.805247
H -2.484295 2.238937 -0.800145
H -0.290898 -0.568072 2.395964
H -1.261529 1.558074 1.534078
H -0.712459 1.162930 -0.104886
H -4.407346 2.925667 -2.298384
H -4.794395 3.120487 -0.571089
H -6.235104 1.276030 0.628780
H -6.813896 -0.116234 -0.345279
H -6.728222 2.009323 -1.691241
H -5.650988 0.747134 -2.360481
H 2.045871 0.195575 2.543743
H 0.777376 1.380153 2.915404
H 2.278005 2.724732 1.845933
H 1.206318 2.345989 0.497655
H -4.198009 -1.878299 1.284333
H -5.941084 -1.688263 0.988231
H -5.125450 -0.625952 2.188214
H 0.950618 0.929601 -1.084567
H 1.762029 0.011816 -2.363371
H -0.163810 -2.674176 2.102892
H 2.076362 -2.280984 -2.326883
H 4.558902 2.426624 1.752538
H 0.429196 -4.741735 0.844821
H 4.149603 -0.415359 -2.335725
H 1.551038 -4.548417 -1.412722
H 6.625127 1.680923 0.552689
H 6.420081 0.253833 -1.515823


