%chk=000128497.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128497

0 1
 O    3.912600      0.7756000     -0.7662000    
 O    3.441300      1.2600000E-02   2.120000    
 O    6.141100     -0.4043000       1.797800    
 O    6.071600       2.358300      -1.655900    
 O   -7.546200       2.059600      0.5448000    
 N    1.750800     -2.0800000E-02 -0.1449000    
 N  -8.4600002E-02   1.200000      0.2262000    
 N   0.7196000      -2.149100     -0.7044000    
 N   -2.868100      6.8000001E-03 -4.5499999E-02
 N   -1.715400      -2.010900     -0.6173000    
 N   -9.024400      0.3570000      0.1012000    
 C    3.853200     -0.7986000       1.023500    
 C    3.164800     -0.3549000     -0.2653000    
 C    5.296500     -0.4965000      0.6707000    
 C    5.163500      0.8369000     -5.3800002E-02
 C    6.294600       1.105300      -1.030200    
 C   0.6845000     -0.8555000     -0.3510000    
 C    1.231800       1.203100      0.2006000    
 C  -0.4400000     -8.0499999E-02 -0.1167000    
 C   -1.675100     -0.7042000     -0.2620000    
 C   -4.153100     -0.5871000     -0.1817000    
 C  -0.5331000      -2.643000     -0.8135000    
 C   -5.254500      0.4304000      0.1145000    
 C   -6.670600     -0.1321000     -2.3300000E-02
 C   -7.760800      0.8920000      0.2323000    
 H    3.662500      -1.845100       1.277900    
 H    3.249400      -1.135100      -1.032100    
 H    5.685100      -1.271600     -7.9999998E-04
 H    5.089400       1.676500      0.6491000    
 H    7.261200       1.139900     -0.5195000    
 H    6.336300      0.3445000      -1.816500    
 H    3.899900     -0.3167000       2.911600    
 H    5.828500      0.3285000       2.354600    
 H    1.858300       2.055800      0.4251000    
 H    5.206900       2.315100      -2.098900    
 H   -2.785100      0.9823000      0.2192000    
 H   -4.286200     -0.9714000      -1.200300    
 H   -4.254500      -1.434100      0.5075000    
 H  -0.6032000      -3.687700      -1.096900    
 H   -5.142300       1.291000     -0.5586000    
 H   -5.121300      0.8265000       1.130000    
 H   -6.811100     -0.5299000      -1.035600    
 H   -6.807600     -0.9604000      0.6823000    
 H   -9.179100     -0.6140000     -0.1507000    
 H   -9.850400      0.9266000      0.2515000    


%chk=000128497-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128497

0 1
O 3.655827 0.729955 -0.921720
O 3.918312 -0.524421 2.025302
O 6.454672 -0.424825 1.217279
O 5.366413 2.883505 -1.809704
O -7.346533 2.143911 -0.316757
N 1.750519 -0.184308 0.237436
N 0.081897 0.889696 1.390790
N 0.401085 -1.959131 -0.868475
N -2.827806 -0.136318 1.206196
N -1.982963 -1.801116 -0.275231
N -8.358526 0.434015 -1.510882
C 4.091343 -1.056643 0.668765
C 3.054984 -0.487871 -0.347269
C 5.435021 -0.441840 0.191077
C 4.999729 0.962558 -0.298849
C 5.885364 1.586339 -1.373161
C 0.561914 -0.870221 -0.061993
C 1.396656 0.867220 1.108121
C -0.449344 -0.196778 0.666753
C -1.778622 -0.706919 0.538168
C -4.224585 -0.577551 1.076720
C -0.908354 -2.352912 -0.916061
C -5.062323 0.356794 0.173650
C -6.516711 -0.146014 0.036827
C -7.423875 0.913674 -0.605951
H 4.088944 -2.161508 0.672029
H 2.860230 -1.212981 -1.158799
H 5.846188 -1.029926 -0.648427
H 4.882898 1.652992 0.559944
H 6.886888 1.788797 -0.958776
H 5.978242 0.880867 -2.226996
H 3.152006 -0.953464 2.478410
H 5.992689 -0.227072 2.077080
H 2.128307 1.584668 1.467440
H 4.435654 2.744893 -2.123323
H -2.614232 0.699440 1.755801
H -4.198479 -1.597415 0.656982
H -4.678575 -0.628364 2.086465
H -1.127275 -3.218712 -1.548364
H -4.587435 0.419644 -0.822954
H -5.089066 1.382160 0.587221
H -6.550772 -1.098743 -0.525735
H -6.928024 -0.351545 1.046932
H -8.411907 -0.550355 -1.765502
H -9.003678 1.096623 -1.941660


