%chk=000018885.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018885

0 1
 O   -5.054200      -1.468300      0.4716000    
 O   -3.405300      -2.704400     -0.2850000    
 N    2.753900     -0.1056000     -0.5229000    
 N  -0.3647000       2.691900     -2.5500000E-02
 N   -3.866400      -1.599900      9.0300001E-02
 C    2.595500     -0.2959000      0.9257000    
 C    3.729900      -1.052900      -1.079500    
 C    3.926400     -0.1084000       1.655600    
 C    5.098000     -0.8899000     -0.4152000    
 C    5.000000      -1.036500       1.098900    
 C    1.464900     -0.2416000      -1.200600    
 C   0.4903000      0.7833000     -0.6905000    
 C  -0.8517000      0.5382000     -0.3447000    
 C   -1.375600       1.762800      7.4800000E-02
 C   0.7772000       2.098500     -0.4929000    
 C   -1.688900     -0.5949000     -0.3401000    
 C   -2.700500       1.911500      0.5004000    
 C   -3.016300     -0.4614000      8.3099999E-02
 C   -3.512300      0.7734000      0.4965000    
 H    2.200700      -1.297700       1.143200    
 H    1.900700      0.4232000       1.371000    
 H    3.849800     -0.8736000      -2.154900    
 H    3.383700      -2.087900     -0.9583000    
 H    3.792500     -0.3014000       2.726000    
 H    4.256200      0.9338000       1.557100    
 H    5.510300      9.7000003E-02 -0.6610000    
 H    5.794700      -1.635700     -0.8144000    
 H    5.967300     -0.8136000       1.562100    
 H    4.752700      -2.075000       1.350900    
 H    1.063900      -1.255200      -1.076400    
 H    1.588600     -7.2400004E-02  -2.278300    
 H    1.676500       2.680900     -0.6382000    
 H  -0.4537000       3.670400      0.2110000    
 H   -1.285100      -1.549000     -0.6664000    
 H   -3.087000       2.872600      0.8223000    
 H   -4.541300      0.8942000      0.8283000    


%chk=000018885-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018885

0 1
O -5.504495 -1.173355 0.028376
O -3.814396 -2.610035 -0.499198
N 2.762622 -0.278771 -0.318404
N -0.404180 2.642470 0.110458
N -4.256162 -1.431253 -0.196777
C 2.881196 -0.487642 1.149483
C 3.775443 -1.074977 -1.058975
C 4.279082 -0.078958 1.654804
C 5.203500 -0.684558 -0.626799
C 5.382591 -0.854982 0.899512
C 1.384390 -0.525849 -0.808867
C 0.428534 0.577612 -0.419128
C -1.011332 0.475147 -0.250125
C -1.505799 1.792978 0.084151
C 0.759341 1.910617 -0.194884
C -1.925496 -0.597704 -0.344417
C -2.876018 2.051721 0.321970
C -3.286559 -0.321622 -0.103677
C -3.773459 0.977910 0.225825
H 2.695441 -1.563466 1.411144
H 2.099361 0.110544 1.650920
H 3.641964 -0.888535 -2.141495
H 3.630468 -2.175086 -0.888360
H 4.345094 -0.267096 2.743674
H 4.413961 1.008599 1.493834
H 5.381263 0.372528 -0.904803
H 5.936305 -1.304579 -1.178150
H 6.385937 -0.509795 1.213012
H 5.315780 -1.932156 1.158879
H 0.981285 -1.508897 -0.451137
H 1.432373 -0.599111 -1.914182
H 1.742384 2.374418 -0.225349
H -0.430636 3.636793 0.326799
H -1.619510 -1.616858 -0.594788
H -3.235155 3.054944 0.573687
H -4.844417 1.109505 0.396987


