%chk=000037352.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037352

0 1
 O   -4.421000      0.8390000       1.480800    
 N    1.133400      0.9213000      4.3000001E-03
 N    2.662800       3.372100      0.1199000    
 N    1.587200      -3.564500     -0.5963000    
 C   0.3115000     -0.1293000      0.6016000    
 C   0.4729000       2.227500      0.1167000    
 C    2.461500      0.9628000      0.6287000    
 C   -1.126100     -6.1900001E-02  0.1163000    
 C    1.335300       3.331100     -0.5055000    
 C    3.323300       2.066100      5.2999998E-03
 C   0.9863000      -1.487700      0.4908000    
 C   -1.477700     -0.3482000      -1.214600    
 C  -0.4396000     -0.8187000      -2.196400    
 C   0.9123000      -2.377200     -0.5900000    
 C   7.0900001E-02  -2.206000      -1.829000    
 C   -2.134800      0.3389000       1.011600    
 C    1.819500      -1.865700       1.565000    
 C    3.484900       4.423600     -0.4756000    
 C   -2.816800     -0.2305000      -1.621400    
 C   -3.461800      0.4508000      0.5968000    
 C   -3.802500      0.1676000     -0.7205000    
 C    2.513200      -3.067600       1.560800    
 C    2.362400      -3.878500      0.4614000    
 C   -5.756900      0.9351000      0.9890000    
 H   0.2506000      7.8599997E-02   1.682000    
 H   0.2644000       2.476700       1.166400    
 H  -0.4759000       2.260200     -0.4288000    
 H    3.025500      4.3699998E-02  0.4473000    
 H    2.392800       1.123800       1.712900    
 H    1.417600       3.168900      -1.589000    
 H   0.8271000       4.291800     -0.3569000    
 H    4.286000       2.091100      0.5304000    
 H    3.530900       1.824000      -1.046200    
 H  -0.8832000     -0.8689000      -3.199300    
 H   0.3778000     -9.5100001E-02  -2.278600    
 H   0.6696000      -2.561900      -2.678600    
 H  -0.7803000      -2.895100      -1.742100    
 H   -1.886800      0.5734000       2.044900    
 H    1.924300      -1.222000       2.436400    
 H    4.458100       4.480000      2.4400000E-02
 H    3.008900       5.402200     -0.3478000    
 H    3.656100       4.260600      -1.545800    
 H   -3.101200     -0.4566000      -2.646300    
 H   -4.811700      0.2324000      -1.112500    
 H    3.145600      -3.354000       2.392500    
 H    2.873900      -4.832500      0.3943000    
 H   -6.135300     -3.8500000E-02  0.6594000    
 H   -5.844800       1.699900      0.2099000    
 H   -6.386800       1.256600       1.825000    


%chk=000037352-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037352

0 1
O -4.511248 0.527900 1.586563
N 1.152469 1.024090 0.022705
N 2.841199 3.392984 -0.080394
N 1.522329 -3.491415 -0.550662
C 0.286548 -0.015599 0.682212
C 0.588704 2.391103 0.198606
C 2.558053 0.997237 0.508942
C -1.148586 0.010129 0.143578
C 1.438685 3.425805 -0.554154
C 3.405149 2.034044 -0.245805
C 0.903596 -1.419522 0.598742
C -1.423103 -0.227913 -1.237449
C -0.289709 -0.541102 -2.196397
C 0.940535 -2.242719 -0.571129
C 0.343061 -1.929663 -1.941829
C -2.206932 0.255364 1.039322
C 1.463726 -1.953068 1.789544
C 3.676260 4.432164 -0.710218
C -2.767718 -0.194941 -1.666553
C -3.550455 0.274313 0.591150
C -3.839383 0.052880 -0.775270
C 2.050950 -3.232644 1.810203
C 2.063411 -3.963998 0.602267
C -5.915677 0.545501 1.174479
H 0.219935 0.223302 1.776286
H 0.550436 2.671394 1.281723
H -0.441972 2.407356 -0.195040
H 2.981759 -0.007309 0.340625
H 2.611360 1.217880 1.605551
H 1.370675 3.215836 -1.653513
H 1.025558 4.436254 -0.374613
H 4.435500 2.024436 0.157154
H 3.454699 1.737696 -1.326042
H -0.665990 -0.528514 -3.236856
H 0.494311 0.231259 -2.100759
H 1.143800 -2.109243 -2.684887
H -0.413203 -2.718339 -2.129110
H -2.012469 0.439962 2.101503
H 1.436887 -1.347787 2.703611
H 4.692190 4.407384 -0.276091
H 3.243717 5.429174 -0.510184
H 3.771611 4.313050 -1.820033
H -2.989142 -0.372362 -2.726125
H -4.866387 0.067717 -1.152224
H 2.483343 -3.650338 2.724583
H 2.512774 -4.963028 0.547931
H -6.224772 -0.431206 0.753103
H -6.109986 1.345968 0.433639
H -6.483098 0.747929 2.094913


