%chk=000044702.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044702

0 1
 O  -0.8180000       2.208000     -0.3602000    
 O   -3.392700       1.312200     -4.5200001E-02
 N    1.782100       1.692100      0.4683000    
 C    1.466200      0.4752000     -0.2875000    
 C    2.528300     -0.5712000      8.6999997E-02
 C    2.171500      -1.932400     -0.4929000    
 C   4.2500000E-02 -2.3200000E-02 -8.7499999E-02
 C   0.8671000      -2.429000      0.1206000    
 C  -0.2323000      -1.397000      7.6200001E-02
 C   -1.039300      0.8744000     -0.1488000    
 C   -1.559100      -1.828400      0.2423000    
 C   -2.354000      0.4311000      4.1000000E-03
 C   -2.613400     -0.9190000      0.2074000    
 C    3.151000       2.107200      0.2161000    
 H    1.556900      0.6860000      -1.363000    
 H    2.628300     -0.6659000       1.177300    
 H    3.514200     -0.3091000     -0.3140000    
 H    2.971200      -2.653100     -0.2884000    
 H    2.073700      -1.858700      -1.583400    
 H    1.035700      -2.704300       1.169200    
 H   0.5522000      -3.333900     -0.4129000    
 H    1.657900       1.528900       1.467300    
 H   -1.776000      -2.883400      0.3934000    
 H   -3.630800      -1.279400      0.3322000    
 H    3.265900       3.139400      0.5649000    
 H    3.399700       2.110700     -0.8507000    
 H    3.887600       1.518100      0.7714000    
 H   0.1224000       2.376300     -0.5275000    
 H   -4.226300      0.8268000      7.9300001E-02


%chk=000044702-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044702

0 1
O -0.642867 2.216590 -0.250621
O -3.281487 1.479867 -0.084664
N 1.749618 1.664233 0.472204
C 1.536287 0.355378 -0.257817
C 2.583196 -0.724853 0.100087
C 2.174131 -2.097468 -0.475975
C 0.090707 -0.115525 -0.045944
C 0.852163 -2.561838 0.169915
C -0.236166 -1.493027 0.102548
C -0.943451 0.872275 -0.103114
C -1.595571 -1.869111 0.184251
C -2.306336 0.466979 -0.018239
C -2.622240 -0.899997 0.123487
C 2.982469 2.406265 0.105712
H 1.651468 0.617350 -1.332860
H 2.657754 -0.805728 1.205105
H 3.578393 -0.424425 -0.278045
H 2.972742 -2.841171 -0.293912
H 2.048565 -2.014540 -1.574268
H 1.050569 -2.823587 1.231231
H 0.491527 -3.488851 -0.314604
H 1.693226 1.506233 1.490811
H -1.857268 -2.928282 0.288612
H -3.674322 -1.210691 0.184117
H 3.000261 3.369818 0.643369
H 2.961321 2.621098 -0.977169
H 3.919615 1.858953 0.334610
H 0.382326 2.285685 0.017433
H -4.184132 1.076770 -0.031260


