%chk=000126036.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126036

0 1
 O    4.487600      -1.102700     -0.5487000    
 O    3.606300       1.564900      -1.465600    
 O   0.8738000      -2.575600      0.7714000    
 O   0.1641000      0.6492000      -1.906700    
 O    2.666300      -3.197300     -0.4593000    
 N    1.031300     -3.5999998E-02  0.1318000    
 N  -0.5945000       2.872700     -0.2089000    
 N   -4.997200      5.2200001E-02  0.4943000    
 N   -6.842300      -1.037500     -0.5910000    
 N   -7.202400      0.5358000       1.018400    
 C    3.448000     -0.3408000      4.0600002E-02
 C    2.089500     -0.8504000     -0.4163000    
 C    3.609600     -0.3237000       1.563400    
 C    3.677400       1.105600     -0.3351000    
 C    4.009400       1.085100       1.875500    
 C  -0.8652000       1.473200      0.1255000    
 C    4.043900       1.916400      0.8335000    
 C   0.1425000      0.6571000     -0.6772000    
 C   -2.318900       1.118500     -0.2204000    
 C    1.921900      -2.314600     -4.6000000E-02
 C   -2.626900     -0.3625000      4.1400000E-02
 C   -4.063200     -0.7304000     -0.3169000    
 C   -6.261000     -0.1593000      0.2963000    
 H    2.026300     -0.8226000      -1.511500    
 H    2.699200     -0.5694000       2.117600    
 H    4.395600      -1.012300       1.893700    
 H   0.8973000     -2.5599999E-02   1.138100    
 H    4.237800       1.402500       2.884500    
 H  -0.7086000       1.337500       1.201200    
 H    4.290400       2.963200      0.8215000    
 H   -2.518100       1.335400      -1.278300    
 H   -2.991800       1.754000      0.3683000    
 H    4.360500      -1.093300      -1.512800    
 H   -2.445700     -0.5858000       1.100200    
 H   -1.954100      -1.000200     -0.5430000    
 H   0.3774000       3.098900     -1.0000000E-03
 H  -0.7253000       3.028200      -1.207700    
 H   -4.203100      -1.801800     -0.1292000    
 H   -4.227000     -0.5395000      -1.384500    
 H   0.8004000      -3.531200      0.9802000    
 H   -6.293600      -1.631000      -1.202800    
 H   -7.851000      -1.119300     -0.6601000    
 H   -8.195500      0.3844000      0.8794000    
 H   -6.927800       1.221000       1.713900    


%chk=000126036-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126036

0 1
O 4.380496 -1.561962 -0.265257
O 3.906777 0.519281 -2.152416
O 1.727263 -2.566220 1.725434
O 0.642997 1.134366 -1.342147
O 1.990481 -3.571318 -0.358241
N 0.883987 -0.311721 0.456313
N -0.651636 2.914600 0.662336
N -4.991722 0.060950 0.219557
N -6.878388 -0.843720 -1.018209
N -7.184983 0.224250 1.051221
C 3.410860 -0.515711 0.037928
C 1.947470 -1.097826 -0.178254
C 3.649814 0.083825 1.440490
C 3.634270 0.687489 -0.934546
C 3.613351 1.587065 1.201492
C -0.871538 1.455072 0.586257
C 3.604969 1.921138 -0.126225
C 0.269050 0.751178 -0.190040
C -2.228147 1.168820 -0.100497
C 1.901739 -2.538078 0.324409
C -2.591523 -0.327148 -0.193222
C -4.025207 -0.532007 -0.727733
C -6.272084 -0.179575 0.061636
H 1.768694 -1.114434 -1.269696
H 2.918018 -0.246682 2.196832
H 4.648500 -0.236634 1.793134
H 0.573731 -0.599379 1.387063
H 3.632163 2.304939 2.028636
H -0.911108 1.061233 1.622646
H 3.627419 2.922328 -0.559642
H -2.198859 1.605550 -1.120404
H -3.016385 1.691766 0.468719
H 4.519424 -1.560673 -1.253224
H -2.533226 -0.793252 0.811146
H -1.880596 -0.860892 -0.855711
H 0.195960 3.171326 1.184647
H -0.636068 3.335126 -0.276461
H -4.202912 -1.624132 -0.879141
H -4.092234 -0.051099 -1.733228
H 1.725677 -3.509595 2.040938
H -6.316172 -1.093183 -1.826499
H -7.783496 -1.294532 -0.905455
H -8.107023 0.555937 0.769854
H -6.756504 0.666533 1.863257


