%chk=000084463.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084463

0 1
 N    2.772000      0.3828000     -0.3284000    
 N   -2.778300     -0.4344000     -0.3036000    
 C    5.150600     -9.6600004E-02 -0.3269000    
 C   -5.146600      8.9100003E-02 -0.3266000    
 C    5.385300      0.7874000      0.9056000    
 C    6.199700      -1.213800     -0.4058000    
 C   -5.408300     -0.7563000      0.9273000    
 C   -6.168100       1.228700     -0.4401000    
 C    6.807800       1.341700      0.9390000    
 C    7.620800     -0.6562000     -0.3699000    
 C   -6.843900      -1.275000      0.9679000    
 C   -7.602400      0.7068000     -0.3969000    
 C    7.847600      0.2290000      0.8516000    
 C   -7.856100     -0.1403000      0.8462000    
 C    3.739600     -0.6817000     -0.3101000    
 C   -3.722100      0.6402000     -0.3181000    
 C    1.398300      0.1806000     -0.3254000    
 C   -1.383200     -0.2289000     -0.3118000    
 C   0.8630000      -1.119100     -0.3034000    
 C  -0.5170000      -1.322200     -0.2968000    
 C   0.5108000       1.270800     -0.3404000    
 C  -0.8692000       1.067700     -0.3336000    
 H    5.257400      0.5336000      -1.221400    
 H   -5.264400     -0.5618000      -1.204800    
 H    5.205500      0.2069000       1.819800    
 H    4.691400       1.634500      0.9286000    
 H    6.062500      -1.792000      -1.327400    
 H    6.065500      -1.912100      0.4304000    
 H   -4.734600      -1.618800      0.9748000    
 H   -5.218300     -0.1569000       1.827000    
 H   -6.020800       1.945300      0.3782000    
 H   -6.012900       1.779000      -1.375700    
 H    6.947500       2.038900      0.1037000    
 H    6.958600       1.914100       1.861200    
 H    8.340500      -1.482600     -0.3649000    
 H    7.807700     -7.5400002E-02  -1.281600    
 H   -6.996800      -1.990400      0.1504000    
 H   -7.012700      -1.819300       1.904000    
 H   -8.302000       1.550000     -0.4172000    
 H   -7.799300      0.1068000      -1.293900    
 H    7.802600     -0.3844000       1.759900    
 H    8.852000      0.6649000      0.8099000    
 H   -7.800300      0.4955000       1.738500    
 H   -8.870600     -0.5529000      0.8109000    
 H    3.608800      -1.302800      0.5848000    
 H    3.608800      -1.321900      -1.191200    
 H   -3.585700       1.284100      0.5600000    
 H   -3.579200       1.255100      -1.215400    
 H    3.088900       1.337000     -0.4611000    
 H   -3.095900      -1.392200     -0.4031000    
 H    1.500700      -1.998800     -0.2904000    
 H  -0.9053000      -2.337400     -0.2790000    
 H   0.8956000       2.288200     -0.3562000    
 H   -1.506500       1.946700     -0.3449000    


%chk=000084463-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000084463

0 1
N 2.807052 0.502183 -0.251681
N -2.807006 -0.501987 -0.235169
C 5.249703 0.027308 -0.281491
C -5.249466 -0.027095 -0.282903
C 5.554769 0.567926 1.139968
C 6.300346 -1.036781 -0.689329
C -5.556869 -0.521277 1.154801
C -6.299644 1.023286 -0.725897
C 6.994258 1.124721 1.246112
C 7.743852 -0.489928 -0.583628
C -6.996101 -1.076011 1.275174
C -7.742925 0.478474 -0.606765
C 8.039060 0.060884 0.832192
C -8.041295 -0.027372 0.825151
C 3.819340 -0.545843 -0.396285
C -3.818720 0.541136 -0.415337
C 1.423754 0.240992 -0.272225
C -1.423584 -0.241574 -0.264315
C 0.900675 -1.084941 -0.256709
C -0.489107 -1.314690 -0.244685
C 0.489267 1.314103 -0.291470
C -0.900530 1.084029 -0.295887
H 5.339130 0.876165 -0.999249
H -5.338924 -0.898746 -0.972767
H 5.429735 -0.264045 1.865204
H 4.815270 1.341642 1.421420
H 6.100939 -1.388467 -1.721295
H 6.193797 -1.919389 -0.023095
H -4.817532 -1.284830 1.463032
H -5.434329 0.333964 1.852928
H -6.195512 1.925909 -0.086705
H -6.098090 1.343157 -1.767758
H 7.095239 2.010968 0.584883
H 7.190370 1.473687 2.278596
H 8.470214 -1.283891 -0.845220
H 7.879216 0.324629 -1.325556
H -7.094063 -1.982691 0.641757
H -7.194394 -1.392534 2.317650
H -8.469450 1.262750 -0.895694
H -7.875054 -0.359628 -1.322618
H 8.013834 -0.775833 1.561115
H 9.059887 0.488716 0.870451
H -8.019232 0.832231 1.527028
H -9.061629 -0.455242 0.874307
H 3.676678 -1.308425 0.399096
H 3.714943 -1.080104 -1.371766
H -3.675788 1.329448 0.354399
H -3.713595 1.042652 -1.408013
H 3.098251 1.450787 -0.490578
H -3.097929 -1.457488 -0.445531
H 1.577474 -1.945158 -0.252501
H -0.858210 -2.348799 -0.221043
H 0.858293 2.348413 -0.305045
H -1.577368 1.943810 -0.323355


