%chk=000047380.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047380

0 1
 N   0.6562000       1.435700       1.029700    
 C   6.4300001E-02  0.3736000      0.1960000    
 C  -0.1116000     -0.8873000       1.093200    
 C    1.061400      4.8000002E-03 -0.9435000    
 C   -1.286400      0.9197000     -0.3408000    
 C  -0.6623000      -2.135100      0.3898000    
 C    2.463200     -0.4339000     -0.5005000    
 C   -2.088000     -6.3199997E-02  -1.202000    
 C  -0.2240000       1.737800       2.152700    
 C   0.8990000       2.626400      0.2236000    
 C  -0.7331000      -3.318600       1.344500    
 C    3.312700     -0.8464000      -1.694700    
 C   -3.351500      0.5864000      -1.748100    
 H  -0.8488000     -0.6932000       1.880300    
 H   0.8214000      -1.136100       1.613500    
 H    1.150300      0.8224000      -1.668900    
 H   0.6409000     -0.8037000      -1.551900    
 H   -1.971600       1.213200      0.4582000    
 H   -1.133600       1.794700     -0.9805000    
 H  -3.0400001E-02  -2.432100     -0.4508000    
 H   -1.678000      -2.091800      4.8200000E-02
 H    2.411800      -1.289500      0.1790000    
 H    2.971000      0.3779000      3.0800000E-02
 H   -2.553000     -0.8096000     -0.5769000    
 H   -1.509500     -0.5141000      -2.010000    
 H  -0.3703000      0.9146000       2.855300    
 H   -1.183800       2.199700       1.909100    
 H   0.2856000       2.490200       2.772000    
 H    1.568400       2.476400     -0.6261000    
 H    1.443000       3.347200      0.8499000    
 H   3.1999999E-03   3.162600     -0.1036000    
 H   -1.399500      -3.107600       2.187300    
 H   0.2579000      -3.559800       1.742600    
 H   -1.111500      -4.206400      0.8270000    
 H    2.859500      -1.688600      -2.227500    
 H    4.309800      -1.152200      -1.362500    
 H    3.429400     -1.5799999E-02  -2.398100    
 H   -3.946800     -0.1443000      -2.305600    
 H   -3.976300      0.9888000     -0.9435000    
 H   -3.102600       1.406900      -2.429000    


%chk=000047380-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047380

0 1
N 0.627466 1.402914 1.019556
C -0.033118 0.326074 0.166558
C -0.274830 -0.911727 1.101936
C 0.938448 -0.047191 -0.996119
C -1.379105 0.882055 -0.424421
C -0.382560 -2.317831 0.459162
C 2.378399 -0.416977 -0.573635
C -2.272418 -0.059637 -1.267469
C -0.069178 1.765220 2.272409
C 1.050670 2.628440 0.309172
C -0.699237 -3.393464 1.522976
C 3.273099 -0.745977 -1.788844
C -3.461714 0.698158 -1.899978
H -1.199561 -0.743004 1.691371
H 0.563104 -0.938577 1.827348
H 0.979813 0.789392 -1.723469
H 0.498538 -0.894704 -1.554739
H -1.993553 1.265152 0.417169
H -1.133854 1.762538 -1.055146
H 0.567960 -2.581149 -0.042515
H -1.164561 -2.338807 -0.321228
H 2.356276 -1.284770 0.113803
H 2.813139 0.414466 0.010573
H -2.667255 -0.877183 -0.634304
H -1.679126 -0.537461 -2.071585
H -0.291486 0.870886 2.874487
H -1.024350 2.329407 2.123356
H 0.599663 2.410510 2.872711
H 1.679658 2.384904 -0.562414
H 1.663727 3.239520 0.998370
H 0.208105 3.274560 -0.043034
H -1.668530 -3.192066 2.017834
H 0.078818 -3.413063 2.309698
H -0.752036 -4.402554 1.074057
H 2.868685 -1.599843 -2.366005
H 4.300863 -1.007414 -1.475504
H 3.340992 0.118024 -2.477715
H -4.112337 0.018106 -2.480711
H -4.084784 1.179529 -1.122204
H -3.107430 1.493243 -2.583307


