%chk=000031539.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031539

0 1
 O   0.8834000       2.658700      0.9757000    
 N    2.784100     -0.3785000      4.7899999E-02
 C    4.211500     -0.6146000     -0.1200000    
 C    1.028600       1.288600      0.5931000    
 C    2.525500       1.006200      0.4191000    
 C   0.2174000       1.064800     -0.6984000    
 C    4.420700      -2.079300     -0.5189000    
 C    4.732600      0.3108000      -1.224700    
 C    4.934800     -0.3194000       1.199400    
 C   -1.254200      0.9560000     -0.4440000    
 C   -1.875900     -0.2759000     -0.1832000    
 C   -3.271700     -0.3115000      4.8599999E-02
 C   -1.997900       2.136100     -0.4755000    
 C   -1.143200      -1.473400     -0.1474000    
 C   -4.004500      0.8859000      1.2800000E-02
 C   -3.370300       2.101000     -0.2478000    
 C   -3.893500      -1.543600      0.3092000    
 C   -1.777400      -2.688500      0.1131000    
 C   -3.149900      -2.723600      0.3411000    
 H   0.6355000      0.6768000       1.413800    
 H    2.885700       1.715900     -0.3327000    
 H    2.998300       1.281700       1.367700    
 H    2.403400      -1.000100      0.7611000    
 H   0.5716000      0.1979000      -1.264300    
 H   0.3921000       1.907300      -1.383500    
 H    3.900100      -2.316200      -1.454400    
 H    5.483600      -2.301400     -0.6678000    
 H    4.046700      -2.761900      0.2532000    
 H    4.835900       1.355100     -0.9120000    
 H    4.099000      0.2744000      -2.119100    
 H    5.736300     -4.4000000E-03  -1.537300    
 H    4.456200     -0.8241000       2.047100    
 H    5.967200     -0.6883000       1.153800    
 H    5.010300      0.7486000       1.428700    
 H   -1.522400       3.092700     -0.6764000    
 H    1.248100       3.212400      0.2644000    
 H  -6.9600001E-02  -1.510500     -0.3007000    
 H   -5.078300      0.8825000      0.1880000    
 H   -3.948800       3.020000     -0.2725000    
 H   -4.965200      -1.594600      0.4904000    
 H   -1.198900      -3.607400      0.1419000    
 H   -3.642700      -3.669700      0.5449000    


%chk=000031539-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031539

0 1
O 0.760901 2.720566 1.535059
N 2.748220 -0.279348 0.426882
C 4.093872 -0.696533 -0.094242
C 1.004419 1.431621 0.859753
C 2.524228 1.146402 0.761781
C 0.318039 1.368087 -0.532206
C 4.048157 -2.239259 -0.218924
C 4.317692 -0.079447 -1.497707
C 5.255596 -0.283248 0.857935
C -1.181917 1.145194 -0.469288
C -1.722849 -0.180509 -0.250032
C -3.161281 -0.352539 -0.156639
C -2.064255 2.226083 -0.592890
C -0.888614 -1.344553 -0.121596
C -4.020475 0.788449 -0.285032
C -3.480037 2.055672 -0.500785
C -3.699899 -1.664573 0.059071
C -1.444669 -2.610012 0.086544
C -2.862353 -2.774839 0.179745
H 0.539772 0.698635 1.543645
H 2.958971 1.772287 -0.041890
H 2.990325 1.467494 1.720778
H 2.482775 -0.877226 1.224633
H 0.818527 0.561222 -1.098742
H 0.533994 2.317391 -1.064570
H 3.236362 -2.545091 -0.902583
H 5.005176 -2.628685 -0.609310
H 3.868849 -2.712821 0.766462
H 4.424305 1.020060 -1.455625
H 3.467099 -0.322230 -2.158758
H 5.242877 -0.482902 -1.947637
H 5.130090 -0.746011 1.855346
H 6.232423 -0.605292 0.451406
H 5.291203 0.813733 0.990371
H -1.658084 3.231030 -0.757864
H 1.042430 3.451426 0.926542
H 0.200396 -1.239590 -0.191374
H -5.105700 0.647791 -0.212711
H -4.136394 2.927447 -0.598959
H -4.788580 -1.781034 0.126446
H -0.792172 -3.486012 0.177693
H -3.285218 -3.772338 0.343672


