%chk=000026652.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026652

0 1
 O   6.8999999E-03  -3.057500      0.7119000    
 O    2.263400       2.127500       1.120900    
 N   -3.869700      0.5127000     -0.7993000    
 N   0.6418000       2.028600     -0.5384000    
 N    5.949300      -1.144400     -0.4106000    
 C   -2.180100       1.392100      0.2939000    
 C   -1.286200       2.393300      0.9672000    
 C   -1.931600      1.0300000E-02  0.1848000    
 C  -0.2546000       3.011500      2.5300000E-02
 C   -3.015700     -0.5280000     -0.5118000    
 C   -3.364300       1.687200     -0.3100000    
 C  -0.8986000     -0.8519000      0.6031000    
 C    2.590800      0.6364000     -0.7596000    
 C   -3.118800      -1.891000     -0.8121000    
 C    3.918600      0.2017000     -0.1395000    
 C    1.837600       1.667100      6.5200001E-02
 C  -0.9882000      -2.217400      0.3097000    
 C   -2.082100      -2.726900     -0.3871000    
 C    4.682900     -0.7762000      -1.033900    
 C    1.098700      -2.475200       1.420500    
 H   -1.902100       3.195900       1.392800    
 H  -0.7774000       1.916800       1.814600    
 H   0.3331000       3.762200      0.5650000    
 H  -0.7494000       3.510900     -0.8151000    
 H   -3.901700       2.615700     -0.4433000    
 H   -4.743100      0.4221000      -1.299700    
 H  -7.5599998E-02 -0.4073000       1.148000    
 H   0.3738000       1.588100      -1.413800    
 H    2.778500       1.077500      -1.746600    
 H    1.941600     -0.2329000     -0.9098000    
 H   -3.970000      -2.288400      -1.354600    
 H    4.538000       1.088900      4.6900000E-02
 H    3.728600     -0.2552000      0.8402000    
 H   -2.137200      -3.790500     -0.6075000    
 H    4.084200      -1.677500      -1.204800    
 H    4.883600     -0.3173000      -2.007800    
 H    5.772000      -1.597500      0.4850000    
 H    6.422900      -1.835100     -0.9913000    
 H   0.7760000      -2.032500       2.369000    
 H    1.652100      -1.768600      0.7980000    
 H    1.790600      -3.286700       1.669000    


%chk=000026652-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000026652

0 1
O -0.661125 -3.366671 0.810475
O 2.661101 2.386112 1.225075
N -3.822456 0.739317 -1.278261
N 0.813573 1.679225 -0.009478
N 6.306319 -0.317057 -1.576622
C -2.228121 1.465436 0.198256
C -1.364828 2.371678 1.046135
C -2.114853 0.020599 0.058885
C -0.045864 2.815490 0.349870
C -3.124051 -0.405198 -0.872091
C -3.282732 1.858841 -0.631480
C -1.256871 -0.949154 0.655851
C 2.834149 0.258593 0.012324
C -3.291074 -1.764077 -1.226142
C 4.190257 0.586141 -0.657541
C 2.107257 1.530599 0.465015
C -1.432258 -2.301781 0.300603
C -2.435864 -2.706617 -0.634550
C 5.032578 -0.677292 -0.924635
C 0.375065 -3.032462 1.785972
H -1.925536 3.289184 1.309502
H -1.105718 1.871363 1.998885
H 0.551301 3.456906 1.021621
H -0.293462 3.398521 -0.559381
H -3.690341 2.854623 -0.798773
H -4.606431 0.753238 -1.926234
H -0.497551 -0.638567 1.379382
H 0.414144 0.947462 -0.601430
H 2.203150 -0.347876 -0.666998
H 3.025319 -0.351385 0.919305
H -4.060538 -2.085180 -1.936677
H 4.032197 1.115484 -1.615500
H 4.743844 1.276784 0.008265
H -2.517550 -3.772083 -0.868731
H 5.154884 -1.230432 0.041768
H 4.477800 -1.350391 -1.607724
H 6.882151 0.330202 -1.028650
H 6.848809 -1.111559 -1.927769
H -0.058006 -2.562928 2.691303
H 1.137519 -2.354897 1.351075
H 0.842414 -3.991689 2.053499


