%chk=000045053.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045053

0 1
 O   0.4902000       1.302400      0.8403000    
 O   1.0100000E-02  -1.887500       1.763600    
 N   0.9007000      -1.928100     -0.3974000    
 C  -0.9929000     -0.4860000      0.2432000    
 C  -0.7184000      0.8749000      0.3779000    
 C   4.6000001E-03  -1.487900      0.5926000    
 C   -2.236400     -0.9031000     -0.2315000    
 C   -1.687500       1.818700      3.7999999E-02
 C   -3.205500      4.0700000E-02 -0.5716000    
 C   -2.931100       1.401700     -0.4367000    
 C    1.935900      -2.914600     -0.1229000    
 C   0.8535000      -1.424900      -1.768600    
 C    1.258400       2.133300     -2.7300000E-02
 C    2.705500       1.949900      0.2896000    
 C    3.612900       1.510400     -0.5893000    
 H   -2.461900      -1.960900     -0.3410000    
 H   -1.492300       2.882100      0.1458000    
 H   -4.173800     -0.2839000     -0.9409000    
 H   -3.686500       2.136400     -0.6996000    
 H    1.784000      -3.778500     -0.7761000    
 H    1.899100      -3.242200      0.9190000    
 H    2.913300      -2.466500     -0.3230000    
 H   9.1600001E-02 -0.6653000      -1.940000    
 H   0.6578000      -2.269000      -2.437100    
 H    1.829800     -0.9954000      -2.012800    
 H    1.055000       1.893600      -1.079200    
 H   0.9838000       3.179500      0.1481000    
 H    3.031400       2.193800       1.297300    
 H    4.651300       1.399200     -0.2970000    
 H    3.340300       1.254500      -1.607100    


%chk=000045053-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045053

0 1
O 0.803605 0.813737 -0.078655
O -0.420731 -2.391390 1.618273
N 0.802529 -2.245114 -0.360089
C -1.082496 -0.662882 0.071804
C -0.592445 0.655424 -0.157273
C -0.198048 -1.815658 0.501383
C -2.481321 -0.874598 0.056515
C -1.487557 1.718921 -0.433271
C -3.381139 0.175455 -0.229072
C -2.877573 1.471565 -0.475393
C 1.721958 -3.303154 0.088101
C 1.042578 -1.705707 -1.704922
C 1.346879 2.190072 -0.133530
C 2.824273 2.092860 0.138058
C 3.775823 2.659750 -0.642924
H -2.852940 -1.878241 0.288144
H -1.116449 2.731964 -0.612561
H -4.459180 -0.013230 -0.247021
H -3.563830 2.297963 -0.691556
H 1.656485 -4.185507 -0.577408
H 1.437240 -3.597526 1.109627
H 2.765884 -2.934067 0.084892
H 0.179479 -1.111767 -2.040686
H 1.189066 -2.542464 -2.414925
H 1.939405 -1.058252 -1.723143
H 1.150715 2.644298 -1.125596
H 0.841400 2.799768 0.645919
H 3.099653 1.540745 1.046389
H 4.838358 2.598628 -0.384712
H 3.521279 3.205707 -1.560067


