%chk=000017549.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017549

0 1
 O   -1.789800       1.631200      0.9246000    
 O   -3.555900     -0.1760000      -1.617900    
 O   -5.575700     -0.2456000     -0.5869000    
 O    4.867600      0.7146000     -0.7336000    
 O    4.693100      -1.379400     -9.8399997E-02
 N   -2.165100     -0.6258000      0.5474000    
 N    4.186700     -0.2513000     -0.3116000    
 C   7.7000000E-02  0.3099000      0.4071000    
 C   0.8546000       1.369600     -5.9999999E-02
 C   0.6615000     -0.9356000      0.6369000    
 C   -1.343200      0.5023000      0.6536000    
 C    2.800800     -6.1799999E-02 -6.7900002E-02
 C    2.216500       1.183700     -0.2974000    
 C    2.023400      -1.121400      0.3994000    
 C   -3.597200     -0.5918000      0.7398000    
 C   -4.354300     -0.3228000     -0.5352000    
 H   0.4171000       2.346400     -0.2497000    
 H   9.9900000E-02  -1.778200       1.029500    
 H    2.790900       2.031400     -0.6624000    
 H    2.446400      -2.103400      0.5955000    
 H   -1.774900      -1.512000      0.2454000    
 H   -3.844500      0.1899000       1.463700    
 H   -3.895700      -1.571300       1.123600    
 H   -4.071800     -2.4000001E-03  -2.434000    


%chk=000017549-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000017549

0 1
O -1.631318 1.746218 1.369133
O -3.839856 -1.777323 -1.099741
O -5.814843 -0.847404 -0.289469
O 5.157194 0.657682 -0.027328
O 4.682144 -1.466045 -0.712202
N -2.244335 -0.104830 0.123666
N 4.332189 -0.303507 -0.272543
C 0.152918 0.405333 0.401642
C 1.103111 1.424734 0.668287
C 0.597958 -0.857768 -0.071977
C -1.295960 0.735084 0.672522
C 2.885358 -0.056541 -0.035177
C 2.474689 1.204948 0.448539
C 1.967498 -1.096952 -0.293600
C -3.665120 0.149540 0.360475
C -4.571570 -0.841061 -0.346684
H 0.735345 2.379872 1.055326
H -0.107143 -1.678406 -0.244191
H 3.222336 1.978195 0.642408
H 2.335279 -2.061566 -0.652285
H -2.007133 -0.873202 -0.505671
H -3.944429 1.170549 0.033111
H -3.897243 0.120100 1.442796
H -4.459668 -2.407450 -1.555535


