%chk=000018448.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018448

0 1
 O    1.403500      0.1209000     -0.5359000    
 O  -0.3233000     -0.4654000       1.412700    
 O   6.3400000E-02  -1.383700      -1.644300    
 N    4.228400      0.2637000      0.3427000    
 C    2.499700     -0.2426000      -1.373500    
 C    2.791800      -1.735400      -1.238300    
 C    3.714800      0.6098000     -0.9928000    
 C    3.394900      -2.053000      0.1272000    
 C    4.596600      -1.155800      0.4238000    
 C  -0.8799000     -2.2900000E-02  0.1581000    
 C    5.370800       1.110000      0.6868000    
 C   0.2201000     -0.5331000     -0.7764000    
 C   -2.245500     -0.6741000     -7.4400000E-02
 C  -0.9956000       1.503000      0.1562000    
 C   -2.636400     -0.9407000      -1.366300    
 C   -1.241800       2.146300       1.347300    
 C   -3.029100     -0.9681000       1.017500    
 C  -0.8485000       2.173400      -1.036300    
 C  -0.1560000      -1.869000       1.419200    
 C   -3.880600      -1.534300      -1.578200    
 C   -1.347100       3.537200       1.345800    
 C   -4.273400      -1.561900      0.8054000    
 C  -0.9537000       3.564400      -1.037800    
 C   0.4288000      -2.289800       2.750600    
 C   -4.699100      -1.844900     -0.4924000    
 C   -1.203000       4.246100      0.1534000    
 H    2.226300     -9.2000002E-03  -2.410400    
 H    3.531900      -2.003700      -2.004800    
 H    1.952000      -2.408700      -1.404400    
 H    4.500000      0.4841000      -1.749800    
 H    3.412800       1.664700     -0.9936000    
 H    2.654200      -1.918800      0.9175000    
 H    3.706700      -3.103300      0.1561000    
 H    4.955100      -1.389300       1.433700    
 H    5.412500      -1.388800     -0.2731000    
 H    6.210400      0.9738000     -4.4999998E-03
 H    5.083500       2.167200      0.6768000    
 H    5.720400      0.8904000       1.701800    
 H   -2.058700     -0.6569000      -2.238500    
 H   -1.366400       1.613800       2.284600    
 H   -2.733000     -0.7346000       2.035400    
 H  -0.6667000       1.661900      -1.976000    
 H   -1.086100      -2.429100       1.299600    
 H   0.5355000      -2.240700      0.6630000    
 H   -4.219100      -1.741000      -2.589300    
 H   -1.543500       4.068100       2.272700    
 H   -4.913900      -1.797700       1.650300    
 H  -0.8445000       4.116400      -1.966700    
 H  -0.2515000      -2.025800       3.567300    
 H    1.372300      -1.769700       2.945700    
 H   0.6071000      -3.368800       2.779500    
 H   -5.670000      -2.302700     -0.6577000    
 H   -1.286100       5.329000      0.1520000    


%chk=000018448-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018448

0 1
O 1.471985 -0.053364 -0.308182
O -0.467272 -0.084020 1.476011
O 0.082960 0.034485 -2.174404
N 4.277029 -0.508348 0.674772
C 2.681074 -0.056350 -1.205545
C 2.941729 -1.471342 -1.755029
C 3.845421 0.462319 -0.352863
C 3.436567 -2.429794 -0.651507
C 4.642068 -1.819636 0.091382
C -0.920638 0.196385 0.107624
C 5.324622 0.045790 1.550973
C 0.238081 0.023438 -0.929018
C -2.156312 -0.664920 -0.224349
C -1.234025 1.712295 0.074054
C -2.157821 -1.719254 -1.168045
C -0.730072 2.569375 1.080702
C -3.325872 -0.434372 0.547275
C -1.986046 2.253925 -0.997187
C -0.146740 -1.498117 1.774019
C -3.309237 -2.522479 -1.342583
C -0.995029 3.956866 1.024553
C -4.473304 -1.234249 0.374700
C -2.244232 3.640422 -1.052712
C 0.792849 -1.488588 2.978897
C -4.470321 -2.284361 -0.574903
C -1.751795 4.497448 -0.040201
H 2.467511 0.642499 -2.035927
H 3.720418 -1.379373 -2.540225
H 2.031765 -1.849263 -2.252353
H 4.681614 0.714701 -1.061837
H 3.538967 1.398981 0.146313
H 2.629051 -2.612414 0.081577
H 3.721128 -3.403602 -1.092703
H 4.963559 -2.487465 0.912061
H 5.507909 -1.726163 -0.620445
H 6.276303 0.286541 1.010481
H 4.959509 0.973369 2.027188
H 5.561137 -0.678391 2.350764
H -1.276380 -1.903701 -1.788602
H -0.148952 2.136590 1.898760
H -3.322358 0.373793 1.287197
H -2.360379 1.591133 -1.784799
H -1.088140 -2.045436 1.982007
H 0.350075 -1.969127 0.903049
H -3.297834 -3.330832 -2.082504
H -0.609645 4.614461 1.812278
H -5.368075 -1.040567 0.976988
H -2.828110 4.050902 -1.884193
H 0.334910 -0.944462 3.823836
H 1.744373 -0.998784 2.709215
H 1.003958 -2.523697 3.307194
H -5.361920 -2.906229 -0.713884
H -1.955066 5.573683 -0.082570


