%chk=000049529.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049529

0 1
 O  -2.5300000E-02 -0.6332000      5.7200000E-02
 O    1.126000       1.294300      0.4930000    
 N   -3.916500      0.8252000     -0.5820000    
 N    2.222700     -0.6874000     -0.1008000    
 C   -3.745400     -0.2811000      0.3681000    
 C   -4.878400      -1.305900      0.2201000    
 C   -6.245400     -0.6459000      0.3784000    
 C   -6.372400      0.5534000     -0.5548000    
 C   -5.194500       1.510500     -0.3886000    
 C   -2.390000     -0.9425000      0.1260000    
 C   -1.249500      4.1000001E-02  0.3131000    
 C    1.130400      0.1101000      0.1800000    
 C    3.589200     -0.3259000     -9.2399999E-02
 C    4.545700      -1.278500     -0.4063000    
 C    3.946100      0.9742000      0.2286000    
 C    5.894100     -0.9218000     -0.3985000    
 C    5.294700       1.330900      0.2363000    
 C    6.268500      0.3827000     -7.7299997E-02
 H   -3.757700      0.1209000       1.390100    
 H   -4.769300      -2.098100      0.9705000    
 H   -4.824300      -1.790700     -0.7636000    
 H   -6.374400     -0.3170000       1.416800    
 H   -7.039500      -1.371000      0.1691000    
 H   -6.419700      0.2040000      -1.594100    
 H   -7.310800       1.081600     -0.3524000    
 H   -5.276700       2.321600      -1.120300    
 H   -5.219500       1.978500      0.6028000    
 H   -3.875000      0.4600000      -1.534000    
 H   -2.337400      -1.376200     -0.8818000    
 H   -2.253700      -1.786200      0.8148000    
 H   -1.333100      0.8834000     -0.3822000    
 H   -1.245600      0.4234000       1.340600    
 H    2.021700      -1.654400     -0.3438000    
 H    4.264900      -2.297500     -0.6580000    
 H    3.250900       1.761500      0.4817000    
 H    6.652600      -1.659900     -0.6427000    
 H    5.587800       2.346500      0.4862000    
 H    7.318500      0.6604000     -7.1300000E-02


%chk=000049529-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049529

0 1
O 0.009204 -0.476344 -0.141988
O 1.211164 1.366081 0.709142
N -4.067716 0.807912 -0.740942
N 2.261244 -0.543332 -0.236449
C -3.776483 -0.221916 0.298893
C -4.877973 -1.316345 0.380895
C -6.276117 -0.677108 0.569446
C -6.562921 0.377112 -0.527775
C -5.414049 1.419983 -0.587593
C -2.377505 -0.827762 0.052936
C -1.268136 0.215887 0.191952
C 1.184731 0.234435 0.164852
C 3.646328 -0.247840 -0.115019
C 4.565137 -1.216593 -0.602578
C 4.131191 0.955227 0.463853
C 5.952781 -0.987230 -0.512439
C 5.524239 1.168003 0.545817
C 6.443371 0.208162 0.063176
H -3.765907 0.314813 1.273287
H -4.658044 -2.010821 1.216248
H -4.861541 -1.915578 -0.554366
H -6.318789 -0.185669 1.563874
H -7.058698 -1.459594 0.567463
H -6.651127 -0.126342 -1.512971
H -7.527914 0.885608 -0.333325
H -5.570182 2.132000 -1.418938
H -5.408157 2.010767 0.350624
H -3.957862 0.397482 -1.682804
H -2.338714 -1.271781 -0.962727
H -2.201569 -1.650712 0.770895
H -1.416620 1.060310 -0.501984
H -1.197961 0.615682 1.220006
H 2.006960 -1.436823 -0.663082
H 4.192104 -2.146646 -1.050765
H 3.422280 1.697664 0.836021
H 6.649475 -1.742895 -0.892157
H 5.892015 2.098184 0.993647
H 7.521461 0.386917 0.133374


