%chk=000018736.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018736

0 1
 O   0.7830000      -1.140500     -0.5525000    
 O    2.386700      -2.645300     -1.1900000E-02
 N   -2.387700     -0.8660000      0.4247000    
 C   0.2003000      0.1711000     -0.3062000    
 C   -1.012600      0.3137000      -1.272700    
 C   -1.889400      0.3233000       1.139500    
 C  -0.3458000      0.2162000       1.150200    
 C   -1.761200       1.632500      -1.011000    
 C   -2.022300     -0.8299000      -1.002300    
 C   -2.285100       1.633400      0.4295000    
 C    1.272600       1.238200     -0.5724000    
 C   -3.811300      -1.106700      0.6203000    
 C    2.553200      0.8931000      0.1293000    
 C    1.999100      -1.483000     -5.6800000E-02
 C    2.864200     -0.3814000      0.3975000    
 C    3.456300       2.031300      0.4947000    
 H  -0.6830000      0.2573000      -2.316900    
 H   -2.244900      0.3315000       2.176700    
 H   5.6100000E-02   1.081000       1.693100    
 H  -4.6100002E-02 -0.6766000       1.713600    
 H   -2.603700       1.730400      -1.706800    
 H   -1.120500       2.502500      -1.188100    
 H   -2.901400     -0.6820000      -1.643800    
 H   -1.592800      -1.798800      -1.280900    
 H   -1.867100       2.491500      0.9701000    
 H   -3.372700       1.768700      0.4328000    
 H   0.9196000       2.220900     -0.2397000    
 H    1.486200       1.312100      -1.646100    
 H   -4.435700     -0.3123000      0.1981000    
 H   -4.044100      -1.197200       1.686900    
 H   -4.103800      -2.054200      0.1542000    
 H    3.791700     -0.6503000      0.8910000    
 H    3.738400       2.593900     -0.4011000    
 H    4.377400       1.687800      0.9772000    
 H    2.949900       2.710800       1.187800    


%chk=000018736-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018736

0 1
O 0.799710 -1.190299 -0.619714
O 2.471813 -2.689720 -0.160700
N -2.458349 -0.830467 0.444246
C 0.195585 0.163448 -0.307774
C -1.015187 0.265270 -1.268666
C -1.883791 0.347258 1.147090
C -0.344760 0.174806 1.160520
C -1.754834 1.614831 -1.039583
C -2.014577 -0.887567 -0.985151
C -2.258566 1.688038 0.441591
C 1.268362 1.244577 -0.565166
C -3.898131 -1.050983 0.637386
C 2.573445 0.929386 0.151233
C 2.079159 -1.500873 -0.117942
C 2.908444 -0.375101 0.372358
C 3.458400 2.085586 0.547575
H -0.657658 0.188375 -2.312252
H -2.260430 0.340701 2.186964
H 0.126388 0.982671 1.751217
H -0.109720 -0.788749 1.643157
H -2.605216 1.660781 -1.744992
H -1.101006 2.471189 -1.285874
H -2.883999 -0.754258 -1.669659
H -1.551955 -1.866159 -1.206972
H -1.806479 2.541049 0.983932
H -3.354237 1.832458 0.478269
H 0.889197 2.228898 -0.234338
H 1.464838 1.330648 -1.655210
H -4.554214 -0.287589 0.143722
H -4.134117 -1.057697 1.717336
H -4.176367 -2.039201 0.227763
H 3.847080 -0.662221 0.856476
H 3.686597 2.723370 -0.329272
H 4.411352 1.747177 0.987222
H 2.946722 2.737367 1.283207


