%chk=000049267.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049267

0 1
 O   0.3434000       1.058800       2.003400    
 O  -0.9375000      -1.029700      -2.002500    
 O   -4.090100      0.5031000      0.9583000    
 N   -1.870500      0.8688000       1.432900    
 N   -2.510200     -0.1750000     -0.5680000    
 C    1.196700     -0.1659000     -0.3831000    
 C  -0.1731000      0.5236000     -0.3046000    
 C    1.200000      -1.511900      0.3751000    
 C    2.319100      0.7322000      0.1831000    
 C  -0.1034000       1.877700      -1.033100    
 C  -0.5132000      0.8176000       1.153000    
 C   -1.212200     -0.3226000      -1.033500    
 C   0.2349000      -2.549400     -0.2043000    
 C    3.711600      0.1002000      0.1102000    
 C   0.1983000       1.686700      -2.502400    
 C   -2.907300      0.4206000      0.6233000    
 C   0.3380000      -3.875200      0.5351000    
 C    4.775600       1.040400      0.6572000    
 H    1.458400     -0.4095000      -1.420000    
 H    1.000400      -1.373500       1.443700    
 H    2.189300      -1.974300      0.3110000    
 H    2.210000       1.011100       1.226100    
 H    2.384700       1.662300     -0.3892000    
 H   0.5947000       2.583600     -0.5727000    
 H   -1.077900       2.382000     -0.9622000    
 H  -0.8052000      -2.280400     -3.5500001E-02
 H   0.4435000      -2.736900      -1.261600    
 H    3.771200     -0.8129000      0.7083000    
 H    3.952100     -0.1620000     -0.9262000    
 H    1.159100       1.205500      -2.696700    
 H  -0.5895000       1.158300      -3.044700    
 H   0.2614000       2.675900      -2.972900    
 H   -2.131000       1.195500       2.359300    
 H   -3.242200     -0.6179000      -1.116400    
 H  -0.3709000      -4.599400      0.1208000    
 H    1.344000      -4.297600      0.4439000    
 H   0.1146000      -3.752100       1.600100    
 H    4.805000       1.974300      8.6800002E-02
 H    5.763400      0.5731000      0.5917000    
 H    4.585600       1.284100       1.707400    


%chk=000049267-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049267

0 1
O -0.039544 0.994566 2.104738
O -0.795972 -0.647338 -2.405727
O -4.297826 -0.024647 0.570060
N -2.130526 0.489319 1.284276
N -2.511003 -0.231296 -0.925873
C 1.214440 -0.230776 -0.318163
C -0.182567 0.515894 -0.314029
C 1.188120 -1.553677 0.506572
C 2.401934 0.660386 0.147346
C -0.107415 2.019735 -0.843629
C -0.739981 0.660354 1.114176
C -1.146552 -0.193473 -1.285890
C 0.089203 -2.590069 0.170365
C 3.791542 0.008925 -0.064970
C 0.425671 2.207053 -2.277461
C -3.070312 0.076964 0.324195
C 0.297352 -3.910971 0.943564
C 4.941432 1.010686 0.179426
H 1.381506 -0.497286 -1.381866
H 1.139733 -1.304247 1.585958
H 2.164213 -2.051915 0.351807
H 2.269741 0.923062 1.213379
H 2.403055 1.613158 -0.415738
H 0.517772 2.576988 -0.123481
H -1.124752 2.456344 -0.777262
H -0.916253 -2.194464 0.422375
H 0.083235 -2.791174 -0.918431
H 3.918585 -0.855603 0.614071
H 3.859579 -0.389256 -1.098896
H 1.456549 1.830414 -2.390111
H -0.198568 1.690197 -3.024773
H 0.431969 3.285435 -2.521187
H -2.504859 0.676720 2.220559
H -3.161733 -0.602556 -1.625903
H -0.498981 -4.642524 0.714666
H 1.267146 -4.372978 0.679200
H 0.295871 -3.737686 2.036297
H 4.882432 1.863493 -0.523107
H 5.929193 0.531914 0.048131
H 4.897372 1.419528 1.206435


