%chk=000029819.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029819

0 1
 O   -3.097300     -0.4683000      -1.297500    
 N    3.130700       1.554600      -1.004500    
 C    1.584900      0.4908000     -5.4400001E-02
 C    1.997000      0.7433000      -1.511500    
 C    2.357000       1.784600      0.2402000    
 C    2.255500     -0.7407000      0.5399000    
 C   9.0499997E-02  0.4429000      0.2812000    
 C    1.662600      -2.010000     -6.7199998E-02
 C  -0.8429000      3.4000000E-03 -0.6709000    
 C  -0.3710000      0.8377000       1.546900    
 C    2.286800      -3.259900      0.5308000    
 C   -2.203300     -4.0100001E-02 -0.3649000    
 C   -1.731000      0.7941000       1.852800    
 C   -2.647100      0.3552000      0.8971000    
 C   -4.472500     -0.4877000     -0.9180000    
 H    2.301000     -0.1113000      -2.122000    
 H    1.294400       1.341900      -2.105900    
 H    1.760800       2.705300      0.2067000    
 H    2.959600       1.801900       1.154000    
 H    2.131200     -0.7585000       1.630900    
 H    3.339200     -0.7414000      0.3663000    
 H    3.983000       1.013500     -0.8581000    
 H    1.802900      -2.033900      -1.152600    
 H   0.5879000      -2.086000      0.1192000    
 H  -0.5152000     -0.3158000      -1.657300    
 H   0.3304000       1.180200       2.303600    
 H    3.365400      -3.286200      0.3459000    
 H    2.121900      -3.302900       1.612200    
 H    1.844900      -4.156500      8.4600002E-02
 H   -2.075700       1.101600       2.835900    
 H   -3.688200      0.3464000       1.201400    
 H   -4.842900      0.5188000     -0.6960000    
 H   -4.652900      -1.187300     -9.4800003E-02
 H   -5.040300     -0.8544000      -1.779400    


%chk=000029819-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029819

0 1
O -3.124755 -0.367022 -1.350939
N 2.574623 2.006116 -1.153708
C 1.586159 0.400994 -0.045200
C 2.010308 0.662369 -1.543404
C 2.375597 1.725058 0.314202
C 2.236610 -0.871017 0.570744
C 0.091984 0.449022 0.270735
C 1.702995 -2.208732 0.010446
C -0.884480 0.047764 -0.664391
C -0.333583 0.852442 1.568368
C 2.426850 -3.428336 0.621026
C -2.260614 0.055370 -0.324906
C -1.701706 0.858831 1.901516
C -2.683963 0.463059 0.962532
C -4.560100 -0.374407 -1.065561
H 2.755765 -0.074848 -1.909412
H 1.194205 0.739816 -2.282647
H 1.789722 2.506814 0.829159
H 3.305027 1.529087 0.890362
H 2.087030 -0.851436 1.670420
H 3.332385 -0.819747 0.399309
H 3.533668 2.214145 -1.461674
H 1.825073 -2.220997 -1.092277
H 0.616276 -2.283387 0.204287
H -0.611174 -0.277830 -1.672711
H 0.408130 1.165290 2.312437
H 3.512314 -3.398491 0.406962
H 2.303032 -3.452064 1.720410
H 2.028608 -4.376884 0.216470
H -2.017256 1.177477 2.901720
H -3.742289 0.479259 1.238871
H -4.929753 0.641550 -0.824212
H -4.803866 -1.063361 -0.232902
H -5.035523 -0.730604 -1.991431


