%chk=000002663.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002663

0 1
 O    2.247200       1.785500     -5.6299999E-02
 O    4.991700       2.217800     -0.1686000    
 O   -3.940800      0.2241000      -1.579200    
 O    1.833700       1.140300      -2.627200    
 N    3.924400      -1.067300       1.156200    
 N   -5.122600     -0.5602000      0.2502000    
 N   -3.171100      0.7624000      0.5543000    
 C    4.002600      -2.416800      0.5872000    
 C    4.500900     -9.4200000E-02  0.2439000    
 C    4.440800       1.327900      0.8065000    
 C    3.374400      -3.402100       1.578500    
 C    3.227700      -2.434700     -0.7347000    
 C    5.471600      -2.781100      0.3418000    
 C    3.022900       1.787600       1.138300    
 C   0.9093000       1.527600      7.9400003E-02
 C   0.1999000      0.9040000     -0.9425000    
 C   -1.808800       1.018200      0.3952000    
 C   0.2690000       1.898300       1.258200    
 C   -1.162400      0.6487000     -0.7844000    
 C   -1.093200       1.643000       1.416500    
 C   -5.267300     -0.6561000       1.701300    
 C   -6.145700      -1.239600     -0.5345000    
 C   -4.057400      0.1468000     -0.3542000    
 C   0.8564000      0.5089000      -2.180900    
 C   -6.101800      0.4818000       2.252100    
 C   -5.755700      -2.672500     -0.8331000    
 C   0.3540000     -0.6981000      -2.963800    
 H    4.416500      -1.034900       2.048800    
 H    5.558900     -0.2879000      3.7099998E-02
 H    3.995700     -6.8700001E-02 -0.7266000    
 H    5.066100       1.394700       1.705000    
 H    2.326100      -3.151300       1.779200    
 H    3.399900      -4.426300       1.189200    
 H    3.907300      -3.400200       2.536600    
 H    3.748200      -1.936700      -1.559300    
 H    2.233000      -1.986500     -0.6267000    
 H    3.071800      -3.469300      -1.065700    
 H    5.915300      -2.261100     -0.5137000    
 H    5.562300      -3.851700      0.1194000    
 H    6.091200      -2.588300       1.225600    
 H    2.612900       1.128800       1.913500    
 H    3.052300       2.815700       1.518400    
 H    4.980100       3.112500      0.2121000    
 H   0.7771000       2.417400       2.065100    
 H   -1.691000      0.1550000      -1.589300    
 H   -1.586200       1.942900       2.337900    
 H   -4.287700     -0.6832000       2.188300    
 H   -5.744500      -1.613200       1.943100    
 H   -6.272200     -0.7035000      -1.481700    
 H   -7.103800      -1.197100     -5.5999998E-03
 H   -3.544200       1.029300       1.459600    
 H   -5.659500       1.456700       2.025300    
 H   -7.111200      0.4730000       1.828100    
 H   -6.192300      0.3942000       3.339200    
 H   -4.810400      -2.717400      -1.384100    
 H   -5.630600      -3.250700      8.8100001E-02
 H   -6.526700      -3.159300      -1.438400    
 H  -0.4168000     -0.3828000      -3.671200    
 H  -3.5799999E-02  -1.465200      -2.289200    
 H    1.192100      -1.140400      -3.510900    


%chk=000002663-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002663

0 1
O 1.921663 -0.027053 0.372476
O 3.560639 1.949662 -0.704022
O -4.334440 -0.055223 -1.636561
O 1.632594 0.590194 -2.291327
N 5.489796 -0.704601 1.160354
N -6.002783 -0.041285 -0.000465
N -3.723946 0.132419 0.631678
C 5.930004 -2.133692 1.037416
C 4.853106 -0.056056 -0.010381
C 4.001425 1.160447 0.437163
C 6.679178 -2.472685 2.349491
C 4.682693 -3.044960 0.913075
C 6.877880 -2.364237 -0.177981
C 2.804802 0.726640 1.301700
C 0.544448 0.119394 0.445867
C -0.200812 0.062867 -0.775868
C -2.305895 0.132981 0.514038
C -0.143083 0.225757 1.679824
C -1.619961 0.039489 -0.720064
C -1.547715 0.241453 1.712141
C -6.454974 -0.073773 1.405881
C -7.036786 -0.110116 -1.061154
C -4.665534 0.008089 -0.407671
C 0.468251 0.111339 -2.118218
C -6.590267 1.327058 2.051228
C -7.455019 -1.557082 -1.397705
C -0.308820 -0.387499 -3.333130
H 6.267270 -0.128819 1.517081
H 5.571948 0.311041 -0.775865
H 4.184048 -0.778627 -0.508870
H 4.632616 1.841322 1.042491
H 6.016385 -2.318416 3.219552
H 7.020883 -3.523205 2.345692
H 7.571377 -1.827548 2.473987
H 4.127694 -2.860818 -0.024137
H 3.995448 -2.861635 1.757749
H 4.983660 -4.108678 0.920797
H 6.378262 -2.094763 -1.126252
H 7.185695 -3.424668 -0.246905
H 7.792160 -1.747150 -0.084371
H 3.139301 0.060124 2.117566
H 2.263726 1.609825 1.689378
H 2.883818 1.423271 -1.232282
H 0.423871 0.264350 2.615191
H -2.217831 -0.016468 -1.630501
H -2.060903 0.318918 2.679860
H -5.785869 -0.722031 2.007060
H -7.439053 -0.576461 1.423055
H -6.620801 0.372021 -1.960841
H -7.910413 0.481564 -0.725828
H -4.074320 0.260446 1.580912
H -5.626013 1.866686 2.075889
H -7.300177 1.948071 1.477149
H -6.966194 1.243257 3.087564
H -6.589235 -2.119125 -1.786786
H -7.847097 -2.086307 -0.509143
H -8.245647 -1.557874 -2.170566
H -1.109772 0.326581 -3.603489
H -0.791324 -1.361400 -3.140803
H 0.383644 -0.468311 -4.184719


