%chk=000048423.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048423

0 1
 O  -0.6842000       1.309400      0.9830000    
 O   -3.694400      -2.058900     -3.5399999E-02
 O   0.1267000      -1.634700      -2.518200    
 N  -0.2953000     -9.6000005E-03 -0.8955000    
 N   -1.805900      -1.781300      -1.307800    
 C   -2.555400      7.6399997E-02  8.5299999E-02
 C   -1.092900      0.5149000      0.1342000    
 C   -3.275500      0.9926000     -0.9206000    
 C   -3.198100      0.2496000       1.470600    
 C    1.023200      0.5797000      -1.096800    
 C    2.111400     -0.1272000     -0.2933000    
 C   -2.747400      -1.356000     -0.3853000    
 C    3.490800      0.5098000     -0.4922000    
 C    4.590100     -0.1457000      0.3495000    
 C  -0.6077000      -1.157700      -1.649000    
 C    5.981200      0.4415000      0.1005000    
 C   -3.073200       2.430000     -0.5699000    
 C   -2.523400     -0.6191000       2.479200    
 C    7.034000     -0.2415000      0.9746000    
 C    8.425200      0.3101000      0.7052000    
 C   -4.073600       3.278100     -0.3070000    
 C   -3.155500      -1.560600       3.188800    
 H   -4.343700      0.7418000     -0.9660000    
 H   -2.888800      0.8369000      -1.936400    
 H   -4.272800      2.7600000E-02   1.427200    
 H   -3.115900       1.281600       1.833300    
 H    1.269700      0.5376000      -2.164500    
 H   0.9872000       1.639700     -0.8183000    
 H    2.156900      -1.186000     -0.5763000    
 H    1.852400     -0.1038000      0.7726000    
 H    3.438000       1.576200     -0.2405000    
 H    3.763300      0.4475000      -1.553000    
 H    4.610700      -1.221300      0.1338000    
 H    4.335800     -4.1299999E-02   1.411700    
 H   -1.981000      -2.681000      -1.746800    
 H    6.243800      0.3210000     -0.9574000    
 H    5.968400       1.517700      0.3104000    
 H   -2.068400       2.841800     -0.6059000    
 H   -1.467600     -0.4643000       2.682800    
 H    6.788200     -9.9100001E-02   2.033400    
 H    7.034000      -1.320900      0.7836000    
 H    8.714500      0.1521000     -0.3387000    
 H    9.161400     -0.1909000       1.341500    
 H    8.468800       1.383500      0.9154000    
 H   -3.868200       4.322300     -9.7599998E-02
 H   -5.107100       2.950100     -0.2928000    
 H   -2.616100      -2.150900       3.921400    
 H   -4.212700      -1.760400       3.053900    


%chk=000048423-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048423

0 1
O -0.643116 1.677905 0.357532
O -4.020987 -1.729876 -0.333500
O 0.101724 -1.993096 -2.423908
N -0.291156 -0.094172 -1.097841
N -1.951714 -1.792074 -1.356015
C -2.574844 0.231653 -0.026805
C -1.107927 0.654262 -0.216404
C -3.489933 1.231723 -0.863313
C -2.953025 0.304279 1.490904
C 1.101721 0.381967 -1.349237
C 2.107760 -0.175072 -0.320413
C -2.916649 -1.168583 -0.553811
C 3.536453 0.350397 -0.582638
C 4.567603 -0.194137 0.431453
C -0.661324 -1.329132 -1.676210
C 6.000221 0.329005 0.184486
C -3.486924 2.662147 -0.368330
C -2.082629 -0.573482 2.367094
C 7.030973 -0.215086 1.199930
C 8.460454 0.310985 0.948268
C -4.613542 3.349772 -0.054920
C -2.512156 -1.686418 3.012936
H -4.515884 0.821121 -0.831719
H -3.154194 1.199675 -1.921125
H -4.013765 0.010818 1.578706
H -2.855722 1.361222 1.797327
H 1.375788 0.060811 -2.367883
H 1.075676 1.483164 -1.299626
H 2.104519 -1.281169 -0.369058
H 1.785642 0.118561 0.697217
H 3.535887 1.459581 -0.542851
H 3.851505 0.071151 -1.609642
H 4.570048 -1.303328 0.391137
H 4.249702 0.079856 1.459088
H -2.193795 -2.707461 -1.749966
H 6.320540 0.055248 -0.842752
H 5.999339 1.438557 0.224307
H -2.508126 3.153308 -0.287944
H -1.036400 -0.250502 2.482338
H 6.710190 0.058444 2.225972
H 7.030623 -1.323614 1.159932
H 8.816640 0.024505 -0.059423
H 9.177253 -0.092448 1.686984
H 8.493662 1.415082 1.013308
H -4.572497 4.396497 0.266463
H -5.608028 2.889055 -0.112769
H -1.840378 -2.278456 3.645070
H -3.548305 -2.035342 2.924355


