%chk=000029169.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029169

0 1
 O  -0.1179000       3.042800     -0.3942000    
 N  -4.7699999E-02  8.5100003E-02 -0.2993000    
 N    4.217300      0.1858000     -0.1655000    
 C   -2.250400      0.1330000     -1.7000000E-03
 C   -1.128000      0.9171000     -0.1880000    
 C   -3.610400      0.7194000      0.1631000    
 C   -1.835100      -1.228400     -1.0900000E-02
 C  -0.4498000      -1.229000     -0.1983000    
 C   -3.505700       2.171000      0.6591000    
 C    1.325400      0.5066000     -0.4894000    
 C   -2.513700       3.000000     -0.1710000    
 C   -1.127900       2.360200     -0.2429000    
 C    2.048700      0.7276000      0.8388000    
 C   -2.500100      -2.464200      0.1223000    
 C   0.3030000      -2.407400     -0.2583000    
 C    3.488500       1.182300      0.6100000    
 C   -1.759300      -3.650000      6.3800000E-02
 C  -0.3792000      -3.619700     -0.1235000    
 C    4.271800      -1.088300      0.5535000    
 C    5.570400      0.6561000     -0.4676000    
 H   -4.130700      0.6949000     -0.8019000    
 H   -4.201100      0.1316000      0.8742000    
 H   -4.495100       2.641400      0.6362000    
 H   -3.174400       2.168100       1.706100    
 H    1.816300     -0.2667000      -1.090000    
 H    1.342500       1.400600      -1.118500    
 H   -2.412100       3.995600      0.2745000    
 H   -2.882900       3.118100      -1.196100    
 H    1.531300       1.517800       1.398900    
 H    1.986100     -0.1575000       1.481400    
 H   -3.575700      -2.504100      0.2688000    
 H    3.970100       1.371500       1.578000    
 H    3.469900       2.137000      6.8899997E-02
 H    1.375800      -2.402100     -0.4090000    
 H   -2.268100      -4.604900      0.1657000    
 H   0.1767000      -4.552800     -0.1673000    
 H    3.296600      -1.575100      0.6214000    
 H    4.683700     -0.9779000       1.563500    
 H    4.906800      -1.800300      1.2400000E-02
 H    5.534300       1.591700      -1.036900    
 H    6.100100     -7.0000000E-02  -1.094200    
 H    6.161200      0.8264000      0.4398000    


%chk=000029169-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029169

0 1
O -0.254285 3.208020 -0.336503
N -0.035588 0.187221 -0.377114
N 4.262748 -0.018215 -0.010145
C -2.315786 0.137204 -0.007991
C -1.193181 0.977701 -0.191699
C -3.707231 0.674730 0.210329
C -1.841816 -1.216934 -0.073583
C -0.413008 -1.153128 -0.296740
C -3.637484 2.122367 0.760573
C 1.349888 0.664048 -0.554835
C -2.686594 3.005932 -0.083691
C -1.263174 2.438544 -0.206832
C 2.064869 0.941954 0.786575
C -2.474330 -2.486857 0.041285
C 0.376484 -2.324856 -0.404357
C 3.577203 1.164568 0.574705
C -1.690675 -3.647344 -0.066159
C -0.279072 -3.563732 -0.287555
C 4.389793 -1.141075 0.942417
C 5.567338 0.332217 -0.609812
H -4.271264 0.671090 -0.747048
H -4.273115 0.025050 0.905158
H -4.647796 2.572969 0.776024
H -3.274249 2.095510 1.806432
H 1.917165 -0.101166 -1.112401
H 1.323191 1.589402 -1.152203
H -2.603699 4.026458 0.330322
H -3.091283 3.108706 -1.113122
H 1.632393 1.848149 1.249873
H 1.888344 0.101316 1.484384
H -3.555160 -2.557551 0.207772
H 4.044145 1.469435 1.546458
H 3.716885 2.011585 -0.124984
H 1.457176 -2.275122 -0.573643
H -2.159514 -4.633792 0.019089
H 0.303668 -4.488525 -0.367063
H 3.396427 -1.453601 1.307504
H 5.019397 -0.887994 1.834026
H 4.850968 -2.006696 0.433651
H 5.428097 1.118497 -1.372819
H 5.998328 -0.555289 -1.107788
H 6.314999 0.702505 0.137409


