%chk=000059255.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059255

0 1
 O   0.2649000      -2.947100      0.3836000    
 N  -0.5316000       2.914300      8.8100001E-02
 N  -0.5914000     -0.7958000     -0.2061000    
 N    5.793100     -2.1100000E-02 -0.1456000    
 C  -0.8858000       1.540400      0.4430000    
 C  -0.2783000      0.5636000     -0.5531000    
 C   -1.011700       3.235100      -1.255500    
 C   -1.082400       3.852700       1.065400    
 C   -1.999400      -1.202600     -0.1416000    
 C   0.4191000      -1.765200      7.8299999E-02
 C  -0.5995000       4.638900      -1.665100    
 C  -0.5938000       3.534100       2.468200    
 C    1.821600      -1.310700      2.0000000E-02
 C   -2.325100      -2.192600      0.7329000    
 C   -2.875000     -0.5594000     -0.9604000    
 C    2.417400     -0.8077000       1.163800    
 C    2.511000      -1.396200      -1.177500    
 C   -3.663900      -2.579300      0.7948000    
 C   -4.213800     -0.9461000     -0.8984000    
 C   -4.608100      -1.956000     -2.0800000E-02
 C    3.743100     -0.3772000       1.108500    
 C    3.836700     -0.9658000      -1.232800    
 C    4.452800     -0.4563000     -8.9699998E-02
 H   -1.973900       1.440100      0.5216000    
 H  -0.4716000       1.267900       1.420400    
 H   0.7983000      0.7453000     -0.5881000    
 H  -0.6076000      0.6940000      -1.586100    
 H  -0.5510000       2.593500      -2.010300    
 H   -2.099900       3.124700      -1.342600    
 H   -2.179500       3.864000       1.051500    
 H  -0.7387000       4.871100      0.8572000    
 H   0.4635000       4.822600      -1.474200    
 H   -1.190100       5.411700      -1.163400    
 H  -0.7648000       4.771400      -2.740500    
 H  -0.8143000       4.378000       3.132100    
 H   0.4896000       3.374000       2.496500    
 H   -1.096300       2.662900       2.899700    
 H   -1.652200      -2.647000       1.447700    
 H   -2.609900      0.2132000      -1.670600    
 H    1.870200     -0.7419000       2.099800    
 H    2.037100      -1.791100      -2.071600    
 H   -3.975300      -3.351700       1.492000    
 H   -4.949100     -0.4637000      -1.535900    
 H   -5.651100      -2.254400      3.0099999E-02
 H    4.211700      1.8400000E-02   2.005900    
 H    4.378800      -1.032300      -2.172700    
 H    6.308000     -7.7600002E-02  -1.014300    
 H    6.240100      0.3491000      0.6827000    


%chk=000059255-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059255

0 1
O 0.221140 -2.916707 -0.771346
N -0.837553 3.035646 0.061507
N -0.645836 -0.762958 -0.387664
N 5.830823 -0.316853 0.933125
C -0.963634 1.613145 0.468604
C -0.413191 0.686088 -0.642208
C -2.031853 3.530693 -0.675763
C -0.406308 3.938209 1.160921
C -2.009004 -1.241067 -0.398850
C 0.422673 -1.703491 -0.450091
C -1.709989 4.687441 -1.641396
C 1.090675 3.795798 1.496500
C 1.806870 -1.239996 -0.107601
C -2.365886 -2.384785 0.366085
C -3.023006 -0.567379 -1.128597
C 2.099390 -0.352250 0.961726
C 2.896877 -1.836928 -0.796935
C -3.698990 -2.837663 0.393558
C -4.359216 -1.025465 -1.093285
C -4.708633 -2.162484 -0.333585
C 3.424715 -0.049487 1.317331
C 4.225205 -1.528117 -0.468489
C 4.514532 -0.623050 0.597349
H -2.017934 1.341707 0.704149
H -0.384913 1.445951 1.394610
H 0.666396 0.858725 -0.751576
H -0.866387 0.970620 -1.612108
H -2.437633 2.685580 -1.263704
H -2.846877 3.838090 0.027688
H -1.019023 3.781133 2.084745
H -0.594194 4.977533 0.835513
H -0.942970 4.370915 -2.369405
H -1.325776 5.576219 -1.108743
H -2.618762 4.995837 -2.191491
H 1.373310 4.488774 2.311273
H 1.702022 4.022523 0.605847
H 1.341951 2.770403 1.824531
H -1.595658 -2.924515 0.921797
H -2.781519 0.305581 -1.742407
H 1.280258 0.076135 1.549387
H 2.676049 -2.559380 -1.589609
H -3.950490 -3.723080 0.988215
H -5.124199 -0.490833 -1.667995
H -5.744377 -2.517890 -0.308254
H 3.625293 0.624061 2.159648
H 5.049446 -1.991013 -1.024773
H 6.607319 -0.738992 0.432300
H 6.040768 0.319775 1.696362


