%chk=000036544.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036544

0 1
 O  -0.7995000       1.518000      0.2073000    
 O   9.5299996E-02  3.5799999E-02   1.701400    
 N   -3.710400     -0.7750000     -4.7300000E-02
 N    1.321400      0.8618000     -0.1137000    
 C   -2.127600       1.063900      0.4446000    
 C   -3.100300       2.080500     -0.1450000    
 C   -2.322200     -0.3176000     -0.1870000    
 C   -4.529600       1.560400     -6.5600000E-02
 C   -4.646000      0.1646000     -0.6810000    
 C   -3.867800      -2.114500     -0.6133000    
 C   -5.267900      -2.652200     -0.3703000    
 C   0.2118000      0.7291000      0.6982000    
 C    2.579500      0.2317000      2.1800000E-02
 C    3.576000      0.4963000     -0.9044000    
 C    2.791700     -0.6391000       1.078800    
 C    4.817100     -0.1261000     -0.7697000    
 C    4.032800      -1.261300       1.213500    
 C    5.045500      -1.004800      0.2893000    
 C    5.900300      0.1484000      -1.757600    
 H   -2.295900       1.011200       1.529000    
 H   -2.834400       2.287600      -1.189900    
 H   -3.010700       3.037800      0.3817000    
 H   -2.018300     -0.2891000      -1.243000    
 H   -1.661800      -1.046100      0.2964000    
 H   -4.849900       1.528700      0.9837000    
 H   -5.203200       2.251700     -0.5846000    
 H   -5.685700     -0.1431000     -0.5317000    
 H   -4.470800      0.2229000      -1.763400    
 H   -3.643900      -2.132900      -1.687300    
 H   -3.162200      -2.797300     -0.1238000    
 H   -5.577700      -2.521500      0.6722000    
 H   -6.013800      -2.189600      -1.023600    
 H   -5.288700      -3.726700     -0.5843000    
 H    1.223500       1.489600     -0.9079000    
 H    3.397300       1.182900      -1.728200    
 H    2.058600     -0.8872000       1.832400    
 H    4.212000      -1.945500       2.037900    
 H    6.008600      -1.494500      0.4062000    
 H    6.575800     -0.7085000      -1.853500    
 H    5.486100      0.3422000      -2.752900    
 H    6.483000       1.020000      -1.443500    


%chk=000036544-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036544

0 1
O -0.710458 0.888857 -0.443622
O 0.142336 -0.530612 1.242965
N -4.076573 -0.805520 -0.155976
N 1.514191 0.529770 -0.378525
C -2.098864 0.666649 0.061426
C -2.916561 1.893596 -0.354214
C -2.661963 -0.624801 -0.563214
C -4.406770 1.655787 -0.011982
C -4.910871 0.330278 -0.619860
C -4.595896 -2.137755 -0.560889
C -5.935670 -2.501656 0.105443
C 0.318390 0.212137 0.244959
C 2.823458 0.091560 -0.035921
C 3.894157 0.550237 -0.850654
C 3.087243 -0.765702 1.062444
C 5.229360 0.171827 -0.587987
C 4.422771 -1.144087 1.320189
C 5.486333 -0.688368 0.512553
C 6.368237 0.683855 -1.454077
H -2.059335 0.551050 1.159650
H -2.800435 2.043938 -1.446009
H -2.530701 2.798186 0.149430
H -2.546290 -0.557696 -1.677275
H -2.073603 -1.488201 -0.205942
H -4.537478 1.612730 1.086057
H -5.018718 2.495979 -0.390645
H -5.955375 0.156767 -0.309163
H -4.900907 0.406894 -1.741040
H -4.698520 -2.214240 -1.675369
H -3.836494 -2.884380 -0.260040
H -5.857196 -2.389545 1.201084
H -6.769004 -1.869541 -0.249772
H -6.198379 -3.551038 -0.122367
H 1.423286 1.159039 -1.179069
H 3.681165 1.212342 -1.701092
H 2.264816 -1.119524 1.686907
H 4.630458 -1.807979 2.167100
H 6.515679 -0.996496 0.731045
H 7.030535 -0.141143 -1.774530
H 5.996285 1.191560 -2.360802
H 6.995359 1.407748 -0.899317


