%chk=000089791.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089791

0 1
 O    1.227600      -1.764400      0.7088000    
 O    5.736300      -1.498300     -0.5624000    
 N    1.239300       1.223600      0.5702000    
 N    4.545800      0.4861000     -0.3198000    
 N    3.487100      -1.656500      7.2899997E-02
 N   -2.399200      0.4870000      0.1974000    
 N    3.044100       2.407400      1.2400000E-02
 C    2.232500      0.3172000      0.3332000    
 C  -0.1226000      0.9523000      0.9637000    
 C    3.325100       1.067600     -5.7000001E-03
 C   -1.041800      0.7843000     -0.2426000    
 C    2.219000      -1.108100      0.4019000    
 C    1.776400       2.468100      0.3643000    
 C    4.674600     -0.9252000     -0.2924000    
 C   -3.282800      0.2842000     -0.9422000    
 C    5.681600       1.327800     -0.6751000    
 C    3.599600      -3.111000      0.1081000    
 C   -4.694100     -1.5100000E-02 -0.5115000    
 C   -5.080000      -1.331800     -0.3028000    
 C   -5.589200       1.029800     -0.3287000    
 C   -6.387300      -1.609400      9.6500002E-02
 C   -6.896500      0.7522000      7.0600003E-02
 C   -7.295500     -0.5675000      0.2832000    
 H  -0.1294000      6.9899999E-02   1.611500    
 H  -0.4558000       1.795300       1.582400    
 H   -1.032200       1.704800     -0.8397000    
 H  -0.6635000     -2.3900000E-02 -0.8813000    
 H    1.199800       3.375500      0.4833000    
 H   -2.389100     -0.3529000      0.7763000    
 H   -2.918500     -0.5387000      -1.571600    
 H   -3.289600       1.176300      -1.582300    
 H    6.570300      0.7310000     -0.8956000    
 H    5.904300       1.996500      0.1621000    
 H    5.424000       1.917600      -1.560200    
 H    2.666000      -3.602200      0.3908000    
 H    4.382100      -3.383200      0.8235000    
 H    3.906400      -3.461300     -0.8826000    
 H   -4.379900      -2.150600     -0.4435000    
 H   -5.288400       2.061300     -0.4898000    
 H   -6.697900      -2.636700      0.2626000    
 H   -7.603800       1.563400      0.2166000    
 H   -8.313400     -0.7836000      0.5943000    


%chk=000089791-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089791

0 1
O 1.208586 -1.660112 0.881425
O 5.785989 -1.505366 -0.250540
N 1.226533 1.427472 0.397996
N 4.604605 0.522481 -0.286977
N 3.508588 -1.550342 0.305908
N -2.350637 0.284138 -0.005819
N 3.138247 2.518833 -0.236642
C 2.235164 0.455302 0.288731
C -0.190169 1.180212 0.735135
C 3.388989 1.160443 -0.094998
C -0.984350 0.600451 -0.458327
C 2.213812 -0.964906 0.526392
C 1.817096 2.635516 0.068608
C 4.702690 -0.875205 -0.089606
C -3.324975 0.013556 -1.088666
C 5.798354 1.291487 -0.690935
C 3.648222 -3.011613 0.506245
C -4.736122 -0.187312 -0.545462
C -5.597828 -1.152044 -1.123788
C -5.217516 0.607526 0.526037
C -6.920654 -1.313583 -0.650979
C -6.536665 0.444153 1.003620
C -7.394536 -0.515029 0.415202
H -0.221443 0.465202 1.575125
H -0.645950 2.130349 1.060903
H -1.048378 1.358777 -1.262490
H -0.432566 -0.278309 -0.864732
H 1.267420 3.573868 0.066855
H -2.351403 -0.474087 0.691334
H -3.046791 -0.867103 -1.717130
H -3.310537 0.893301 -1.765434
H 6.636325 0.584724 -0.775089
H 6.022735 2.063402 0.063878
H 5.618070 1.787592 -1.659140
H 2.662988 -3.396734 0.806315
H 4.398481 -3.215924 1.287294
H 3.984213 -3.490195 -0.428003
H -5.232574 -1.781018 -1.945529
H -4.541879 1.340985 0.978912
H -7.575814 -2.063987 -1.107870
H -6.897003 1.063706 1.833011
H -8.417917 -0.641807 0.786031


