%chk=000045603.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045603

0 1
 N    1.826400       1.941500     -0.7054000    
 N   -3.663200       1.324100       1.220400    
 C  -0.6549000       1.834000     -0.7855000    
 C   0.6302000       1.453400     -2.7600000E-02
 C   -1.882600       1.376000     -0.1041000    
 C    3.027500       1.560700      2.3700001E-02
 C   -2.538500      0.1268000     -0.2893000    
 C   -3.652300      0.1199000      0.5532000    
 C    3.144400      5.4900002E-02  0.1521000    
 C   -2.597700       2.090000      0.8298000    
 C    4.258000       2.169300     -0.6527000    
 C   -2.290700      -1.001900      -1.095300    
 C   -4.534200     -0.9638000      0.6302000    
 C    2.669600     -0.7468000     -0.8698000    
 C    3.723600     -0.4810000       1.287900    
 C   -3.164500      -2.093400      -1.028800    
 C   -4.268300      -2.072500     -0.1786000    
 C    2.777400      -2.132400     -0.7518000    
 C    3.831500      -1.866700       1.405700    
 C    3.358400      -2.692300      0.3858000    
 H  -0.6154000       1.418400      -1.800700    
 H  -0.6939000       2.924800     -0.9081000    
 H   0.6121000      0.3679000      0.1066000    
 H   0.5801000       1.890000      0.9794000    
 H    2.966000       1.996100       1.031100    
 H    1.778800       2.955900     -0.7965000    
 H   -2.445000       3.073200       1.252800    
 H   -4.357600       1.601700       1.900200    
 H    5.170900       1.924200     -9.8099999E-02
 H    4.181900       3.261500     -0.7001000    
 H    4.383800       1.794200      -1.675200    
 H   -1.433700      -1.035700      -1.762100    
 H   -5.393700     -0.9485000       1.291800    
 H    2.237900     -0.3430000      -1.780700    
 H    4.096500      0.1539000       2.086100    
 H   -2.978000      -2.966900      -1.647800    
 H   -4.933900      -2.931200     -0.1427000    
 H    2.414600      -2.775400      -1.548500    
 H    4.284600      -2.302800       2.291100    
 H    3.443800      -3.771200      0.4770000    


%chk=000045603-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045603

0 1
N 1.783115 1.911244 -0.497087
N -4.123944 1.630566 0.680713
C -0.687044 1.961620 -0.799283
C 0.490233 1.549701 0.121002
C -2.034722 1.553441 -0.257606
C 2.992962 1.457236 0.226064
C -2.560134 0.198464 -0.169116
C -3.871373 0.278081 0.422954
C 3.168881 -0.063800 0.116665
C -3.017685 2.391935 0.267103
C 4.228043 2.182448 -0.364073
C -2.052209 -1.075391 -0.541683
C -4.671346 -0.864060 0.649486
C 2.839143 -0.743535 -1.082509
C 3.720507 -0.801875 1.192069
C -2.844915 -2.217887 -0.319764
C -4.139998 -2.113801 0.270686
C 3.061855 -2.132895 -1.205030
C 3.948094 -2.192366 1.072386
C 3.620135 -2.862892 -0.128621
H -0.509152 1.504751 -1.792561
H -0.661147 3.060382 -0.948217
H 0.475517 0.454666 0.270502
H 0.344283 2.009407 1.129644
H 2.939573 1.709565 1.316490
H 1.833188 2.914832 -0.719495
H -3.011529 3.475547 0.374763
H -4.976731 2.004270 1.090045
H 5.153814 1.842413 0.130445
H 4.145777 3.278486 -0.227634
H 4.311665 1.967058 -1.444265
H -1.058614 -1.170437 -0.994754
H -5.667449 -0.789845 1.100692
H 2.394623 -0.163993 -1.899813
H 3.968436 -0.287303 2.129791
H -2.464741 -3.206164 -0.601372
H -4.731939 -3.021839 0.432059
H 2.800465 -2.648089 -2.136958
H 4.372839 -2.751614 1.914112
H 3.791423 -3.941429 -0.222329


