%chk=000005760.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005760

0 1
 O   0.1614000     -0.6148000      0.5255000    
 O   -2.128100      -2.719900      0.4367000    
 O   -2.259600      -1.798900      -1.677900    
 O    1.409600     -0.6424000       2.459500    
 N   -2.626100       1.989400      0.1550000    
 C   -2.457900      0.7975000     -0.7009000    
 C   -1.243400       2.283100      0.5744000    
 C   -2.254800     -0.3868000      0.2761000    
 C   -1.217800       1.116700      -1.546500    
 C  -0.4136000       2.105200     -0.6999000    
 C  -0.8818000       1.248600       1.665700    
 C   -1.031600     -0.2124000       1.199200    
 C   -3.259300       3.105900     -0.5417000    
 C   -2.216300      -1.696000     -0.4593000    
 C    1.308800     -0.5240000       1.248200    
 C   -2.083400      -4.032400     -0.1319000    
 C    2.465400     -0.2529000      0.3575000    
 C    3.533700      0.4668000      0.8523000    
 C    2.436300     -0.7294000     -0.9371000    
 C    4.620500      0.7213000      1.5699999E-02
 C    3.523100     -0.4749000      -1.773600    
 C    4.615200      0.2505000      -1.297100    
 H   -3.336500      0.6102000      -1.330400    
 H   -1.136300       3.289700      0.9948000    
 H   -3.155400     -0.4237000      0.9085000    
 H   -1.511100       1.600900      -2.485900    
 H  -0.6259000      0.2374000      -1.813300    
 H   0.6066000       1.769000     -0.5085000    
 H  -0.3357000       3.057700      -1.238700    
 H   0.1186000       1.483200       2.041400    
 H   -1.567100       1.403100       2.510900    
 H   -1.151200     -0.8652000       2.074000    
 H   -4.278200       2.833000     -0.8378000    
 H   -2.723600       3.433400      -1.438400    
 H   -3.348600       3.965600      0.1315000    
 H   -2.996600      -4.230100     -0.7012000    
 H   -2.016000      -4.755000      0.6858000    
 H   -1.199700      -4.138700     -0.7683000    
 H    3.547500      0.8418000       1.871300    
 H    1.604700      -1.307900      -1.328100    
 H    5.470500       1.286800      0.3863000    
 H    3.520700     -0.8438000      -2.795200    
 H    5.461500      0.4482000      -1.948300    


%chk=000005760-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005760

0 1
O 0.262896 0.069371 0.423637
O -1.441340 -2.517216 0.466630
O -1.857121 -1.737430 -1.685995
O 1.421135 -0.237924 2.427565
N -3.116896 2.000074 0.182391
C -2.654223 0.876940 -0.698591
C -1.803868 2.612221 0.584688
C -2.161893 -0.235321 0.267877
C -1.525317 1.489584 -1.596662
C -0.949624 2.659924 -0.732655
C -1.190247 1.694635 1.668982
C -1.016009 0.231415 1.203558
C -4.036758 2.945671 -0.492276
C -1.807651 -1.530674 -0.452436
C 1.414368 -0.196130 1.171295
C -1.056479 -3.826850 -0.112400
C 2.606108 -0.420061 0.300161
C 3.852689 -0.669266 0.931610
C 2.522520 -0.398019 -1.116735
C 5.006150 -0.894271 0.153039
C 3.679720 -0.624445 -1.891664
C 4.921844 -0.872302 -1.260065
H -3.494575 0.483237 -1.294318
H -1.975172 3.614931 1.014729
H -3.015660 -0.457396 0.939656
H -1.960467 1.865245 -2.539522
H -0.765048 0.739438 -1.860058
H 0.125408 2.530081 -0.525644
H -1.079093 3.632349 -1.240850
H -0.214711 2.079258 2.017061
H -1.873643 1.691522 2.538706
H -0.929720 -0.438989 2.075465
H -4.959600 2.410272 -0.777911
H -3.621502 3.428577 -1.408607
H -4.315852 3.744693 0.217455
H -1.897252 -4.253099 -0.685224
H -0.805955 -4.453708 0.754501
H -0.187159 -3.705226 -0.780338
H 3.891022 -0.683360 2.025938
H 1.557414 -0.208671 -1.595081
H 5.967082 -1.086264 0.642416
H 3.614440 -0.609190 -2.984956
H 5.818538 -1.047828 -1.865072


