%chk=000014949.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014949

0 1
 O   -3.323000       1.312400     -4.7899999E-02
 O  -0.9586000      -4.635000     -1.5600000E-02
 O   -3.343700      -3.216600     -1.2500000E-02
 O   -3.167900       3.938200     -2.9400000E-02
 N    4.044500      0.7978000      0.4488000    
 C    4.062000     -0.3748000     -0.4157000    
 C    5.416400     -0.9875000     -9.2699997E-02
 C    2.863500      -1.248600     -7.6499999E-02
 C    5.358600       1.414600      0.2929000    
 C    6.302300      0.2158000      0.2329000    
 C    2.929400       1.671500      9.7700000E-02
 C    1.550000     -0.4700000     -3.3000000E-02
 C    1.581900      0.9462000      4.2700000E-02
 C   0.3108000      -1.163700     -2.4800001E-02
 C   0.3738000       1.693600      2.1199999E-02
 C  -0.9041000     -0.4270000     -1.2200000E-02
 C  -0.8724000       1.011100     -3.3000000E-03
 C   0.2453000      -2.580800     -2.1299999E-02
 C   0.3697000       3.112500      1.5799999E-02
 C   -2.049100       1.809000     -1.6300000E-02
 C   -2.114700      -1.172900     -1.1400000E-02
 C  -0.9620000      -3.274200     -1.8100001E-02
 C  -0.8061000       3.857900      3.0000001E-04
 C   -2.146500      -2.567300     -1.5699999E-02
 C   -2.020300       3.203500     -1.3200000E-02
 C   -4.174300       1.656500       1.040300    
 C  -0.9612000      -5.286900      -1.284900    
 C   -3.910800      -3.525200       1.259400    
 C   -3.693700       4.289900      -1.307400    
 H    4.035800     -8.3300002E-02  -1.476400    
 H    5.813100      -1.566000     -0.9332000    
 H    5.367400      -1.653200      0.7776000    
 H    3.000400      -1.728400      0.9014000    
 H    2.810200      -2.032900     -0.8406000    
 H    5.601300       2.079100       1.127900    
 H    5.434900       1.986900     -0.6403000    
 H    6.807000      6.0199998E-02   1.193100    
 H    7.071600      0.3616000     -0.5327000    
 H    3.093500       2.148200     -0.8778000    
 H    2.886000       2.449300      0.8682000    
 H    1.154600      -3.178600     -1.0500000E-02
 H    1.299500       3.677300      1.4700000E-02
 H   -3.098000     -0.7312000     -1.1600000E-02
 H  -0.7572000       4.943000     -2.4999999E-03
 H   -3.632400       2.055200       1.905800    
 H   -4.686300      0.7448000       1.364500    
 H   -4.943000       2.360400      0.7090000    
 H  -0.9625000      -6.367000      -1.115100    
 H  -6.3699998E-02  -5.022600      -1.853200    
 H   -1.858100      -5.020600      -1.852900    
 H   -3.244900      -4.180200       1.829900    
 H   -4.857600      -4.046700       1.094800    
 H   -4.109600      -2.608000       1.823000    
 H   -2.992600       4.937000      -1.843800    
 H   -4.627600       4.837600      -1.154200    
 H   -3.906900       3.395000      -1.900500    


%chk=000014949-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000014949

0 1
O -3.352954 1.431610 -0.007415
O -0.883888 -4.629876 -0.025003
O -3.413306 -3.148314 -0.139472
O -3.066586 4.227373 -0.203632
N 4.093085 0.870318 0.451466
C 4.121580 -0.370869 -0.354712
C 5.500488 -0.980713 -0.004305
C 2.891781 -1.216391 -0.005018
C 5.439384 1.471962 0.337745
C 6.396612 0.246330 0.381240
C 2.971516 1.750503 0.109340
C 1.605946 -0.392396 -0.001013
C 1.644773 0.997436 0.017497
C 0.321293 -1.079912 -0.022303
C 0.415362 1.779783 -0.048171
C -0.922735 -0.341184 -0.059606
C -0.879639 1.127667 -0.068560
C 0.275516 -2.508253 -0.017411
C 0.488017 3.207738 -0.091985
C -2.043568 1.977406 -0.074417
C -2.140618 -1.090780 -0.102355
C -0.928226 -3.215575 -0.058056
C -0.658290 4.000684 -0.170755
C -2.159057 -2.487953 -0.082865
C -1.930707 3.384378 -0.173872
C -4.059783 1.721811 1.264453
C -1.449035 -5.291446 -1.225160
C -3.737682 -3.932860 1.074233
C -3.949078 4.055674 -1.381823
H 4.091641 -0.125085 -1.451061
H 5.916427 -1.557388 -0.848712
H 5.396098 -1.666256 0.855506
H 3.041943 -1.675676 0.993232
H 2.806255 -2.046216 -0.732937
H 5.620969 2.192007 1.156181
H 5.560187 2.021437 -0.632577
H 6.815489 0.112690 1.392909
H 7.242414 0.379185 -0.315619
H 3.152218 2.285828 -0.864936
H 2.898332 2.534122 0.888349
H 1.193999 -3.098619 0.014387
H 1.462082 3.701878 -0.087067
H -3.093207 -0.565722 -0.157258
H -0.606553 5.091922 -0.229432
H -3.507923 1.279798 2.114974
H -5.047322 1.245087 1.166147
H -4.167927 2.811884 1.403395
H -1.405754 -6.370699 -1.012913
H -0.829990 -5.057085 -2.112112
H -2.491289 -4.969758 -1.399457
H -2.956979 -4.688228 1.278208
H -4.700941 -4.421438 0.861055
H -3.842722 -3.258479 1.945715
H -3.397816 4.311341 -2.306616
H -4.776795 4.765537 -1.230924
H -4.328334 3.020686 -1.441800


