%chk=000046285.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046285

0 1
 O    5.994700      -2.012000      0.3926000    
 O    4.015900      0.7702000     -0.2088000    
 N   -2.252400     -0.1944000      7.9999998E-04
 C    5.931000     -0.6049000      0.2103000    
 C    5.819100      -1.529500     -0.9458000    
 C    4.673600      6.9999998E-04  0.7966000    
 C    2.659200      0.8533000     -0.1369000    
 C  -0.1213000       1.025800      8.8999998E-03
 C   -1.607600       1.117200      8.7200001E-02
 C    1.907700       1.003800      -1.302200    
 C    2.020500      0.7891000       1.101400    
 C   0.5174000       1.090200      -1.229400    
 C   0.6302000      0.8753000       1.174400    
 C   -3.616900     -0.3597000      4.9999999E-03
 C   -4.489400      0.7483000      9.4499998E-02
 C   -4.200500      -1.643900     -8.1000000E-02
 C   -5.874200      0.5809000      9.7999997E-02
 C   -5.585200      -1.811400     -7.7699997E-02
 C   -6.422000     -0.6990000      1.1900000E-02
 H    6.822800     -8.3999997E-03  0.3302000    
 H    4.853800      -1.686100      -1.409400    
 H    6.662200      -1.611800      -1.619500    
 H    4.945700      0.6550000       1.632400    
 H    4.037100     -0.8127000       1.169500    
 H   -1.888600       1.609600       1.027300    
 H   -1.963000       1.764200     -0.7255000    
 H    2.399900       1.053600      -2.269700    
 H    2.569600      0.7023000       2.034400    
 H  -5.6499999E-02   1.204900      -2.145100    
 H   0.1445000      0.8284000       2.145600    
 H   -1.668300      -1.021300     -5.7200000E-02
 H   -4.110700       1.764600      0.1653000    
 H   -3.563900      -2.523700     -0.1516000    
 H   -6.526400       1.446500      0.1682000    
 H   -6.012000      -2.807800     -0.1447000    
 H   -7.500200     -0.8294000      1.4700000E-02


%chk=000046285-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046285

0 1
O 7.341133 -0.463946 0.679887
O 3.871754 0.090194 -0.646234
N -2.519482 -0.235242 0.017712
C 6.225661 -0.066083 -0.257849
C 6.861707 -1.412109 -0.399057
C 4.884693 0.095181 0.422823
C 2.531356 0.282664 -0.267761
C -0.236032 0.658711 0.268281
C -1.716706 0.876487 0.543612
C 1.599387 0.314702 -1.336194
C 2.087447 0.435977 1.067632
C 0.233028 0.502180 -1.065411
C 0.707037 0.619133 1.319182
C -3.916595 -0.227183 -0.044507
C -4.684058 0.912211 0.342004
C -4.608333 -1.383612 -0.519570
C -6.092052 0.888594 0.238913
C -6.012487 -1.392599 -0.610255
C -6.771543 -0.255918 -0.235623
H 6.494599 0.722483 -0.971375
H 6.328601 -2.296543 -0.028794
H 7.578808 -1.586171 -1.209449
H 4.844910 1.053871 0.979098
H 4.711252 -0.738474 1.132656
H -1.877930 1.014973 1.636430
H -2.053223 1.814796 0.054405
H 1.969239 0.198027 -2.359507
H 2.787829 0.409657 1.907516
H -0.484671 0.532329 -1.893354
H 0.365384 0.731596 2.355202
H -2.037576 -1.124161 -0.116844
H -4.188794 1.808203 0.729284
H -4.033121 -2.268836 -0.820978
H -6.662085 1.775639 0.540147
H -6.519493 -2.292375 -0.978402
H -7.863844 -0.266454 -0.308923


