%chk=000018043.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018043

1 1
 N    2.928000      1.2700000E-02 -6.9100000E-02
 N  -0.8402000      7.2099999E-02 -0.1580000    
 C    1.509600      1.1100000E-02  0.4825000    
 C    3.107000      -1.168400      -1.012100    
 C    3.919200     -0.1008000       1.080100    
 C    3.176200       1.308900     -0.8270000    
 C   0.5133000      0.1243000     -0.6578000    
 C    2.859100      -2.453800     -0.2533000    
 C    3.736500       1.075600       2.013800    
 C    4.587500       1.304700      -1.372700    
 C   -1.402000      -1.233800     -1.4000000E-02
 C   -1.586000       1.289600     -7.5499997E-02
 C   -1.872300      -1.898500      -1.135300    
 C   -2.916200       1.297300     -0.4618000    
 C   -1.466000      -1.810200       1.244700    
 C  -0.9623000       2.436000      0.3885000    
 C   -2.421300      -3.173000     -0.9944000    
 C   -3.643200       2.485000     -0.3819000    
 C   -2.014900      -3.084800       1.385500    
 C   -1.689500       3.623700      0.4684000    
 C   -2.492600      -3.766200      0.2660000    
 C   -3.029900       3.648200      8.3300002E-02
 H    1.360800     -0.8649000       1.119200    
 H    1.394800      0.8837000       1.125700    
 H    2.491100      -1.055700      -1.906900    
 H    4.151700      -1.200300      -1.334600    
 H    3.684500     -0.9972000       1.660900    
 H    4.939200     -0.2045000      0.7026000    
 H    2.515100       1.341000      -1.697000    
 H    2.949000       2.175100     -0.2011000    
 H   0.6389000       1.044500      -1.235300    
 H   0.6306000     -0.6808000      -1.387800    
 H    2.994800      -3.285900     -0.9566000    
 H    3.571700      -2.650700      0.5502000    
 H    1.839700      -2.566100      0.1210000    
 H    4.481000      0.9807000       2.815300    
 H    3.933600       2.049500       1.561900    
 H    2.775400       1.096000       2.532200    
 H    4.739400       2.250600      -1.909100    
 H    5.366400       1.286900     -0.6078000    
 H    4.782200      0.5292000      -2.116400    
 H   -1.821300      -1.445900      -2.121800    
 H   -3.423400      0.4135000     -0.8343000    
 H   -1.097800      -1.285900       2.122100    
 H   7.4100003E-02   2.460800      0.7012000    
 H   -2.793000      -3.703600      -1.866000    
 H   -4.686500       2.505000     -0.6831000    
 H   -2.070600      -3.546500       2.367000    
 H   -1.212700       4.529600      0.8313000    
 H   -2.920000      -4.758600      0.3758000    
 H   -3.595900       4.573000      0.1454000    


%chk=000018043-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018043

1 1
N 2.942330 0.000310 -0.140655
N -0.917006 0.133347 -0.498963
C 1.436819 0.124007 0.195315
C 3.210904 -1.221788 -1.064577
C 3.734752 -0.201867 1.181636
C 3.391054 1.293187 -0.872426
C 0.455200 0.220740 -1.009997
C 2.640017 -2.559914 -0.577929
C 3.709145 0.978924 2.159103
C 4.889355 1.397564 -1.179565
C -1.411937 -1.187923 -0.183883
C -1.642526 1.318038 -0.157098
C -1.412589 -2.202672 -1.176828
C -3.053258 1.258114 0.029136
C -1.871844 -1.496375 1.124733
C -0.998348 2.583081 -0.041719
C -1.851952 -3.507958 -0.861077
C -3.784272 2.422640 0.333553
C -2.325142 -2.798311 1.428863
C -1.745093 3.746259 0.250840
C -2.309835 -3.812413 0.441851
C -3.140413 3.677629 0.448379
H 1.170655 -0.762531 0.794536
H 1.324494 1.015995 0.832106
H 2.799213 -0.958500 -2.053488
H 4.307016 -1.286652 -1.163399
H 3.300957 -1.098544 1.653380
H 4.769651 -0.441460 0.884904
H 2.806364 1.327318 -1.806651
H 3.062493 2.131989 -0.236480
H 0.580520 1.163404 -1.568405
H 0.630265 -0.609849 -1.714752
H 2.925400 -3.328885 -1.317931
H 3.058029 -2.883157 0.389806
H 1.539248 -2.568091 -0.514588
H 4.293950 0.685252 3.048908
H 4.180969 1.889053 1.753292
H 2.695779 1.227045 2.514715
H 5.059070 2.361428 -1.691392
H 5.517715 1.401617 -0.273652
H 5.248279 0.609149 -1.861332
H -1.115557 -1.961367 -2.204467
H -3.577458 0.304714 -0.083747
H -1.890287 -0.713243 1.890438
H 0.084336 2.685243 -0.180244
H -1.862528 -4.278397 -1.639550
H -4.869120 2.349984 0.466023
H -2.686298 -3.021819 2.438434
H -1.227969 4.709141 0.328613
H -2.662375 -4.820697 0.681147
H -3.715371 4.579444 0.678986


