%chk=000015898.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015898

0 1
 O    1.685000       1.182200      -1.669500    
 N    2.372400      0.5652000      0.4936000    
 C   0.7384000     -0.5557000     -5.8899999E-02
 C    1.622800     -0.4701000       1.186100    
 C    1.618700      0.5543000     -0.6372000    
 C   0.7963000      -1.863300     -0.7996000    
 C  -0.7310000     -6.8200000E-02  3.5100002E-02
 C    3.523000       1.310100      0.8931000    
 C  -4.1999999E-02  -2.944800     -0.1261000    
 C   -1.410200      0.3260000      -1.117700    
 C   -1.373300     -2.3800001E-02   1.272600    
 C   -2.731600      0.7646000      -1.032900    
 C   -2.694700      0.4146000       1.357200    
 C   -3.374000      0.8089000      0.2044000    
 H    1.203200     -9.3999997E-02   2.121300    
 H    2.236100      -1.350500       1.405400    
 H    1.832400      -2.221200     -0.8646000    
 H   0.4599000      -1.753100      -1.838300    
 H    4.344200      0.6155000       1.085800    
 H    3.286700       1.863300       1.805300    
 H    3.806800       2.006900      0.1005000    
 H   0.2238000      -3.056400      0.9300000    
 H   -1.114000      -2.735100     -0.1889000    
 H   0.1287000      -3.907300     -0.6199000    
 H  -0.9288000      0.2950000      -2.091100    
 H  -0.8878000     -0.3502000       2.185800    
 H   -3.261100       1.070300      -1.930600    
 H   -3.197500      0.4426000       2.319500    
 H   -4.403400       1.148400      0.2700000    


%chk=000015898-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000015898

0 1
O 1.789644 1.053456 -1.840421
N 2.433582 0.570243 0.441274
C 0.671141 -0.522852 -0.056851
C 1.580099 -0.363475 1.231292
C 1.666771 0.505719 -0.720482
C 0.773617 -1.920091 -0.736508
C -0.766935 -0.030769 0.050702
C 3.648510 1.299185 0.772690
C 0.053536 -3.052856 0.024732
C -1.371757 0.616950 -1.059366
C -1.541833 -0.247147 1.219093
C -2.717541 1.040634 -0.996569
C -2.889261 0.175880 1.281591
C -3.482757 0.821393 0.172902
H 1.091525 0.116703 2.097328
H 2.106997 -1.282075 1.549473
H 1.846850 -2.171496 -0.856153
H 0.356273 -1.831154 -1.757800
H 4.473931 0.612303 1.041969
H 3.483871 1.999077 1.614227
H 3.949743 1.880912 -0.115110
H 0.462467 -3.180729 1.045173
H -1.028105 -2.851566 0.115766
H 0.177763 -4.013202 -0.507825
H -0.774998 0.803755 -1.959455
H -1.096778 -0.753681 2.084130
H -3.167338 1.547371 -1.857966
H -3.473267 0.000613 2.192430
H -4.526751 1.151099 0.220133


