%chk=000005730.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005730

0 1
 O   -3.602400       2.716500      0.1225000    
 O    2.100900      -1.235000     -0.2945000    
 O    8.329400      -2.186400     -0.1385000    
 N   -1.992800       1.015000     -8.2599998E-02
 N   -4.991000      -3.025000      0.4445000    
 N    2.829300      0.9677000      5.6299999E-02
 C    1.614600       1.693000      0.1278000    
 C    1.633100       3.062700      0.3326000    
 C  -0.7837000       1.697200      5.5900000E-02
 C   0.4226000       1.000300     -1.1600000E-02
 C   -4.386300      0.5496000     -0.1954000    
 C   -5.191900      -1.685100      5.2099999E-02
 C   0.4268000       3.759600      0.4002000    
 C  -0.7816000       3.076900      0.2619000    
 C   -4.162800     -0.7543000      0.1944000    
 C   -3.290400       1.542200     -4.3400001E-02
 C    2.912300       3.820100      0.4842000    
 C   -5.591800      0.9654000     -0.7210000    
 C   -6.421100      -1.290400     -0.4767000    
 C   -6.620800      3.4699999E-02 -0.8633000    
 C    3.014100     -0.4075000     -0.1434000    
 C    4.393200     -0.8693000     -0.1426000    
 C   -5.695400      -4.099500     -0.2261000    
 C   -4.066800      -3.345500       1.514000    
 C    4.689400      -2.180700      0.2288000    
 C    5.419700     -5.0000002E-04 -0.5130000    
 C    6.012100      -2.623400      0.2299000    
 C    6.742600     -0.4432000     -0.5121000    
 C    7.038800      -1.754700     -0.1407000    
 H   0.3469000     -6.4300001E-02 -0.1720000    
 H   0.4112000       4.834500      0.5603000    
 H   -1.671700       3.686500      0.3259000    
 H   -1.882300      2.4400000E-02 -0.2787000    
 H   -3.222900      -1.064100      0.6367000    
 H    3.657300       1.529900      0.2196000    
 H    3.464500       3.471700       1.363300    
 H    3.535600       3.708300     -0.4094000    
 H    2.735000       4.892900      0.6192000    
 H   -7.247000      -1.986900     -0.5897000    
 H   -5.762400       1.991800      -1.031900    
 H   -7.578100      0.3425000      -1.273800    
 H   -5.716300      -3.949600      -1.311500    
 H   -6.722400      -4.181400      0.1450000    
 H   -5.204800      -5.063700     -5.1199999E-02
 H   -4.157800      -2.641700       2.349100    
 H   -3.034000      -3.341000       1.149800    
 H   -4.266700      -4.342800       1.921900    
 H    3.905700      -2.872800      0.5260000    
 H    5.237500       1.015900     -0.8491000    
 H    6.230100      -3.647000      0.5228000    
 H    7.537500      0.2351000     -0.8100000    
 H    8.350000      -3.116700      0.1444000    


%chk=000005730-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005730

0 1
O -3.662974 2.825900 -0.057127
O 2.089287 -1.230798 -0.100888
O 8.478885 -2.197809 -0.166549
N -2.058699 1.112253 -0.139693
N -5.065651 -3.108963 0.429428
N 2.827408 0.988256 0.146535
C 1.601095 1.712681 0.174083
C 1.676311 3.128091 0.381712
C -0.846985 1.834981 0.036465
C 0.350742 1.076026 0.004973
C -4.435220 0.529726 -0.278695
C -5.262886 -1.789474 0.006375
C 0.463067 3.849046 0.408965
C -0.796997 3.237855 0.240188
C -4.232569 -0.806891 0.145367
C -3.372003 1.591826 -0.141961
C 3.008910 3.835742 0.564252
C -5.678566 0.924797 -0.829946
C -6.506122 -1.374006 -0.571106
C -6.699444 -0.037358 -0.971248
C 3.035284 -0.382372 -0.015422
C 4.476557 -0.812309 -0.060373
C -6.151210 -4.088820 0.305117
C -3.774904 -3.516459 0.995619
C 4.754843 -2.176594 0.209587
C 5.560438 0.049691 -0.387145
C 6.072475 -2.667933 0.186323
C 6.883032 -0.428146 -0.418645
C 7.139971 -1.787739 -0.123102
H 0.334208 -0.007747 -0.139323
H 0.502781 4.933525 0.565734
H -1.721964 3.815055 0.258097
H -1.944871 0.113859 -0.328815
H -3.298881 -1.082788 0.645957
H 3.662827 1.551606 0.309638
H 3.564799 3.470013 1.451923
H 3.670315 3.724778 -0.319799
H 2.852955 4.917113 0.710578
H -7.322987 -2.089675 -0.697922
H -5.818604 1.968138 -1.125376
H -7.664110 0.253437 -1.402551
H -6.452579 -4.242695 -0.751766
H -7.051945 -3.780578 0.874514
H -5.815994 -5.058923 0.704495
H -3.539437 -2.972410 1.934065
H -2.940387 -3.345343 0.284492
H -3.799839 -4.592439 1.229169
H 3.911095 -2.837678 0.430847
H 5.387280 1.096643 -0.665563
H 6.269593 -3.725302 0.404997
H 7.721294 0.223709 -0.680083
H 8.565372 -3.161600 0.040503


