%chk=000028631.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028631

0 1
 O  -0.1496000      -1.257100      0.5191000    
 O  -0.8764000      -2.282700      -1.409300    
 N    2.899500      0.3841000      0.3589000    
 N   -5.862500       1.388700      0.3469000    
 C    2.236700     -9.4999997E-03   1.596200    
 C    4.331800      8.7399997E-02  0.4242000    
 C    2.688200       1.807800      9.0700001E-02
 C    1.972400      -1.511700       1.600500    
 C    4.911000     -4.0500000E-02 -0.9824000    
 C    1.283600       2.040200     -0.4605000    
 C    1.099000      -1.928700      0.4249000    
 C    6.395200     -0.3703000     -0.9423000    
 C    1.045700       3.510600     -0.7680000    
 C   -1.049900      -1.525600     -0.4670000    
 C   -2.306700     -0.7641000     -0.2549000    
 C   -3.362600     -0.8953000      -1.156900    
 C   -2.431700      8.2500003E-02  0.8467000    
 C   -4.543300     -0.1802000     -0.9573000    
 C   -3.612300      0.7977000       1.046300    
 C   -4.668200      0.6665000      0.1442000    
 H    2.838600      0.2644000       2.473400    
 H    1.276200      0.4965000       1.739300    
 H    4.871400      0.8505000       1.001000    
 H    4.520300     -0.8647000      0.9331000    
 H    2.854800       2.410100      0.9940000    
 H    3.391800       2.184500     -0.6596000    
 H    1.453200      -1.757600       2.535600    
 H    2.900000      -2.092500       1.594500    
 H    4.386800     -0.8336000      -1.530000    
 H    4.786200      0.8813000      -1.559500    
 H   0.5084000       1.718200      0.2411000    
 H    1.143000       1.458200      -1.379900    
 H   0.9265000      -3.010200      0.4789000    
 H    1.578800      -1.705300     -0.5346000    
 H    6.958100      0.4172000     -0.4309000    
 H    6.574200      -1.315900     -0.4205000    
 H    6.790300     -0.4648000      -1.958700    
 H    1.143900       4.121000      0.1354000    
 H    1.760500       3.877800      -1.511400    
 H   3.7000000E-02   3.655600      -1.167800    
 H   -3.285100      -1.549500      -2.021100    
 H   -1.634900      0.2152000       1.573100    
 H   -5.359100     -0.2910000      -1.667100    
 H   -3.697900       1.454400       1.908400    
 H   -5.952700       2.004400       1.144200    
 H   -6.627500       1.295800     -0.3079000    


%chk=000028631-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028631

0 1
O -0.293523 -1.221505 0.503244
O -1.030129 -1.984920 -1.575706
N 3.080744 0.421052 0.368751
N -6.226346 1.236199 0.668936
C 2.272225 -0.047322 1.523812
C 4.529260 0.127150 0.516567
C 2.798265 1.829843 -0.013104
C 1.923362 -1.551134 1.429727
C 5.253642 -0.066489 -0.833916
C 1.486637 1.988376 -0.812683
C 1.025044 -1.869119 0.235540
C 6.760889 -0.348447 -0.651647
C 1.188933 3.463003 -1.159858
C -1.256212 -1.352996 -0.509487
C -2.526941 -0.673273 -0.166637
C -3.586624 -0.698038 -1.113874
C -2.730181 0.001707 1.067920
C -4.810325 -0.069232 -0.845003
C -3.951363 0.633333 1.348856
C -5.014583 0.610031 0.395174
H 2.788704 0.152294 2.495178
H 1.325471 0.520499 1.543946
H 5.052109 0.923713 1.107079
H 4.633144 -0.807720 1.100877
H 2.769322 2.499690 0.885431
H 3.634770 2.191293 -0.641117
H 1.427983 -1.875394 2.365771
H 2.850988 -2.148852 1.328332
H 4.765780 -0.900167 -1.373701
H 5.118925 0.833927 -1.464493
H 0.639869 1.564150 -0.238471
H 1.567319 1.383809 -1.736241
H 0.859847 -2.953963 0.104804
H 1.443859 -1.449734 -0.695978
H 7.266134 0.491119 -0.137102
H 6.925869 -1.259948 -0.045909
H 7.261010 -0.497028 -1.625780
H 1.073774 4.075619 -0.245114
H 2.006396 3.906878 -1.759832
H 0.255479 3.552059 -1.744336
H -3.422270 -1.221745 -2.061665
H -1.919219 0.019522 1.801703
H -5.617496 -0.096930 -1.587068
H -4.095366 1.149108 2.306199
H -6.377015 1.719070 1.550073
H -6.985456 1.220317 -0.006192


