%chk=000004060.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004060

0 1
 O   0.9049000      0.1455000      -2.264700    
 O    3.033700     -0.8952000       1.683200    
 N    1.046600      0.2277000       1.206800    
 N    2.275900     -0.5168000     -0.4970000    
 C   0.2861000      0.6562000      4.3900002E-02
 C   0.3596000       2.184600     -6.5399997E-02
 C    1.168700      7.2700001E-02  -1.070500    
 C   -1.106800      4.2199999E-02  4.0399998E-02
 C    2.224300     -0.4479000      0.8810000    
 C  -0.3326000       2.862600       1.104100    
 C   -1.366700      -1.104500      0.7920000    
 C   -2.125300      0.6251000     -0.7148000    
 C    3.336800      -1.163700      -1.242800    
 C   -2.643000      -1.667200      0.7884000    
 C   -3.401700      6.2399998E-02 -0.7181000    
 C   -3.660600      -1.083600      3.3599999E-02
 H  -7.0699997E-02   2.545000      -1.006900    
 H    1.407800       2.514400     -7.9999998E-02
 H   0.7602000      0.3996000       2.165900    
 H   -1.395800       2.615100       1.164800    
 H   0.1353000       2.608000       2.059900    
 H  -0.2605000       3.949900      0.9911000    
 H  -0.6003000      -1.599000       1.381000    
 H   -1.955000       1.506100      -1.324900    
 H    3.497400     -0.6400000      -2.188900    
 H    3.023500      -2.189700      -1.456600    
 H    4.257500      -1.183900     -0.6542000    
 H   -2.844200      -2.561900       1.370400    
 H   -4.193100      0.5139000      -1.309200    
 H   -4.653900      -1.522800      2.9600000E-02


%chk=000004060-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004060

0 1
O 0.909911 0.371286 -2.330212
O 3.207603 -1.031942 1.528555
N 1.176085 0.173029 1.222105
N 2.266048 -0.536282 -0.616750
C 0.342708 0.666178 0.109508
C 0.293972 2.228922 0.081106
C 1.170260 0.164761 -1.119292
C -1.067306 0.040276 0.082172
C 2.307169 -0.520280 0.821024
C -0.423544 2.845909 1.298320
C -1.496153 -0.865967 1.081931
C -1.956933 0.373019 -0.972789
C 3.295254 -1.182937 -1.433070
C -2.799105 -1.414108 1.042915
C -3.255244 -0.178369 -1.013085
C -3.685341 -1.068801 -0.001446
H -0.207667 2.534305 -0.854670
H 1.334207 2.603112 0.021690
H 1.015218 0.398236 2.201224
H -1.463797 2.484385 1.378996
H 0.097845 2.613657 2.246502
H -0.451916 3.946133 1.206348
H -0.809629 -1.158384 1.883105
H -1.622501 1.035253 -1.777856
H 3.750546 -0.454145 -2.124710
H 2.859463 -2.005451 -2.025366
H 4.061516 -1.581883 -0.749386
H -3.117289 -2.112664 1.824895
H -3.928716 0.081700 -1.837236
H -4.694563 -1.494148 -0.032427


