%chk=000060931.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060931

0 1
 O  -0.9239000       1.531900       1.307200    
 O  -0.3446000      -2.420600      0.4680000    
 N   -5.829700     -7.1500003E-02  -1.068200    
 N   -1.944900     -0.2601000      0.2194000    
 N    2.789100      0.1505000      1.7800000E-02
 C   -5.260500       1.276400     -0.8862000    
 C   -5.742800     -0.6448000      0.2876000    
 C   -5.857400       1.771200      0.4357000    
 C   -6.178000      0.4943000       1.215800    
 C   -3.731700       1.095100     -0.7941000    
 C   -4.265000      -1.029600      0.5040000    
 C   -3.313500      0.1722000      0.3647000    
 C   -7.196000     -4.3800000E-02  -1.584200    
 C    3.889700       1.070700     -0.1388000    
 C  -0.8727000      0.4640000      0.7068000    
 C    3.656400       1.995800      -1.336200    
 C    4.108200       1.869700       1.148200    
 C    4.783700       3.013700      -1.487900    
 C    5.233800       2.889200      0.9933000    
 C    5.001200       3.807700     -0.2030000    
 C   0.4235000     -0.1848000      0.4372000    
 C    1.503000      0.5889000      0.2767000    
 C    3.039800      -1.237000     -9.6000001E-02
 C   0.6005000      -1.653600      0.3320000    
 C    1.973400      -2.153500      5.5199999E-02
 C    4.314100      -1.772200     -0.3563000    
 C    2.176600      -3.536300     -4.9699999E-02
 C    4.517000      -3.152100     -0.4610000    
 C    3.450800      -4.031700     -0.3082000    
 H   -5.488900       1.950900      -1.719200    
 H   -6.364800      -1.538300      0.4126000    
 H   -6.782900       2.331200      0.2565000    
 H   -5.177800       2.427800      0.9887000    
 H   -5.669600      0.4694000       2.185200    
 H   -7.256300      0.4456000       1.408500    
 H   -3.363100      0.6856000      -1.745000    
 H   -3.247000       2.072600     -0.6762000    
 H   -4.136700      -1.481300       1.495900    
 H   -3.992200      -1.808200     -0.2221000    
 H   -3.367800      0.7545000       1.293600    
 H   -7.209500      0.4009000      -2.585400    
 H   -7.897000      0.5158000     -0.9565000    
 H   -7.577500      -1.065300      -1.689700    
 H   -1.777800      -1.099500     -0.3275000    
 H    4.851500      0.6024000     -0.3375000    
 H    2.711900       2.544700      -1.241900    
 H    3.577900       1.403100      -2.256200    
 H    4.348300       1.188900       1.974500    
 H    3.200400       2.407800       1.446400    
 H    4.552700       3.700000      -2.310500    
 H    5.711600       2.494600      -1.757800    
 H    6.188700       2.363500      0.8696000    
 H    5.317100       3.488200       1.907200    
 H    5.858600       4.479100     -0.3248000    
 H    4.124900       4.439400     -1.2200000E-02
 H    1.415900       1.668200      0.3393000    
 H    5.210300      -1.181000     -0.4923000    
 H    1.356000      -4.238900      6.6799998E-02
 H    5.512200      -3.538700     -0.6629000    
 H    3.612500      -5.102400     -0.3903000    


%chk=000060931-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000060931

0 1
O -1.016657 1.717557 0.460890
O -0.418122 -2.429167 -0.608746
N -6.217455 -0.433195 -0.588762
N -2.044108 -0.330021 -0.030464
N 2.804522 0.185169 0.042800
C -5.572081 0.833284 -1.072058
C -5.785524 -0.449515 0.848135
C -5.853425 1.892648 0.058229
C -5.996606 1.025935 1.355901
C -4.059130 0.549537 -1.235906
C -4.293791 -0.866083 0.883459
C -3.417968 0.168084 0.130264
C -7.687040 -0.461707 -0.771024
C 3.933345 1.161041 0.242809
C -0.946457 0.476325 0.145614
C 4.446123 1.711857 -1.114304
C 3.581843 2.324029 1.198142
C 5.687940 2.612219 -0.899700
C 4.841374 3.192788 1.440193
C 5.400330 3.749310 0.108502
C 0.386480 -0.202738 -0.046584
C 1.500701 0.603189 0.151896
C 3.072623 -1.160990 -0.320290
C 0.558673 -1.605723 -0.406447
C 1.969645 -2.052662 -0.534333
C 4.402561 -1.652534 -0.474953
C 2.225897 -3.406491 -0.880361
C 4.625004 -2.996110 -0.816335
C 3.535864 -3.885041 -1.019781
H -6.006201 1.127351 -2.044263
H -6.390282 -1.181111 1.412903
H -6.784088 2.449782 -0.151689
H -5.036526 2.631981 0.133471
H -5.256083 1.300528 2.127993
H -6.999152 1.143461 1.804806
H -3.938381 -0.288386 -1.947424
H -3.536494 1.433283 -1.647937
H -3.940430 -0.959812 1.928262
H -4.203864 -1.858761 0.401987
H -3.332526 1.088468 0.737576
H -7.916872 -0.432631 -1.851338
H -8.239967 0.376179 -0.280509
H -8.082844 -1.411324 -0.367983
H -1.849446 -1.314267 -0.302239
H 4.749464 0.593897 0.731000
H 3.631809 2.298713 -1.584351
H 4.685280 0.881200 -1.803853
H 3.186944 1.930176 2.153696
H 2.800176 2.971269 0.755877
H 6.012624 3.031588 -1.870543
H 6.529752 1.993185 -0.524581
H 5.621125 2.587482 1.946611
H 4.586895 4.022768 2.125511
H 6.321533 4.332781 0.296389
H 4.661079 4.449841 -0.330764
H 1.311109 1.644138 0.422482
H 5.265258 -0.997106 -0.335888
H 1.352439 -4.049173 -1.031136
H 5.653878 -3.355582 -0.928475
H 3.720929 -4.930613 -1.285776


