%chk=000049104.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049104

0 1
 O  -0.6263000      0.4433000      0.7545000    
 O   -1.122000      0.1904000      -1.492600    
 N   -2.842700      0.2888000      6.9200002E-02
 N   0.2078000      -2.673600     -0.5180000    
 C    1.426500     -0.7277000      0.3529000    
 C   0.7266000      0.4570000      0.3995000    
 C   0.7855000      -2.039000      0.6673000    
 C    2.775200     -0.6954000     -1.9000000E-03
 C    1.305200       1.673100      0.1096000    
 C    3.389200      0.5212000     -0.3006000    
 C    2.654000       1.705300     -0.2451000    
 C   -1.500500      0.2977000     -0.3267000    
 C   -3.897600      0.1458000     -0.9239000    
 C   -3.280900      0.4133000       1.455600    
 H    1.520900      -2.718800       1.115100    
 H   4.6999999E-03  -1.914100       1.426500    
 H    3.359600      -1.610400     -5.1399998E-02
 H   0.7337000       2.594900      0.1537000    
 H    4.439200      0.5463000     -0.5772000    
 H    3.131700       2.652500     -0.4778000    
 H   -4.476700     -0.7536000     -0.6952000    
 H   -3.491800      5.9599999E-02  -1.935000    
 H   -4.548500       1.023500     -0.8752000    
 H   -3.853300     -0.4802000       1.721600    
 H   -3.922500       1.295200       1.540600    
 H   -2.446700      0.5165000       2.151800    
 H  -0.2154000      -3.561200     -0.2493000    
 H   0.9506000      -2.905100      -1.176900    


%chk=000049104-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049104

0 1
O -0.607690 0.551066 0.605630
O -1.186629 0.372400 -1.681121
N -2.813055 0.230150 0.009179
N -0.288530 -2.349828 -0.214957
C 1.482390 -0.714218 0.374965
C 0.779684 0.514093 0.280814
C 0.785462 -2.017982 0.740455
C 2.877986 -0.685808 0.132305
C 1.425990 1.720680 -0.047284
C 3.547564 0.516499 -0.191030
C 2.818893 1.723928 -0.281990
C -1.529359 0.355459 -0.473442
C -3.908401 0.050447 -0.953471
C -3.155725 0.131770 1.433814
H 1.570685 -2.806598 0.832536
H 0.321056 -1.910428 1.741582
H 3.443040 -1.623750 0.197873
H 0.834043 2.638592 -0.114278
H 4.627572 0.509831 -0.373924
H 3.327020 2.660066 -0.537469
H -4.372550 -0.948898 -0.836134
H -3.503755 0.140368 -1.972452
H -4.688262 0.820984 -0.799960
H -3.562404 -0.873136 1.666328
H -3.923274 0.886057 1.695024
H -2.260402 0.304836 2.043779
H -0.814508 -3.200389 -0.003301
H -0.041344 -2.250890 -1.202371


