%chk=000128297.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128297

0 1
 O    3.660200       1.761900      0.1251000    
 O    4.355700     -0.9151000     -0.1041000    
 O   -3.606000       3.134200      0.2873000    
 N   -1.581300      -1.781900     -0.1405000    
 C   -1.961300     -0.5112000     -3.0999999E-02
 C   -2.738100      -2.691400     -0.2111000    
 C   -3.967600      -1.751400     -0.1230000    
 C   -3.345400     -0.3946000     -1.2900000E-02
 C   -1.071800      0.5509000      5.3300001E-02
 C   0.3197000      0.2139000      1.6400000E-02
 C  -0.2960000      -2.142500     -0.1786000    
 C   0.6965000      -1.155800     -0.1014000    
 C   -3.931200      0.8488000      9.5899999E-02
 C   -1.687100       1.824900      0.1645000    
 C   -3.091600       1.964300      0.1851000    
 C    1.352400       1.173000      9.0800002E-02
 C    2.052700      -1.513000     -0.1399000    
 C    2.697700      0.7999000      5.1100001E-02
 C    3.046900     -0.5402000     -6.4000003E-02
 C    4.108600       2.325400      -1.105600    
 C    4.987000      -1.200100       1.142800    
 H   -2.681600      -3.382500      0.6350000    
 H   -2.692800      -3.228200      -1.163300    
 H   -4.571600      -1.984600      0.7592000    
 H   -4.584700      -1.834400      -1.022800    
 H  -9.6900001E-02  -3.202800     -0.2695000    
 H   -5.014400      0.9380000      0.1103000    
 H   -1.059800       2.713100      0.2355000    
 H    1.117700       2.231300      0.1824000    
 H    2.340500      -2.559100     -0.2310000    
 H    4.877500       3.069800     -0.8815000    
 H    3.281800       2.821300      -1.624100    
 H    4.545400       1.553400      -1.746900    
 H    6.026100      -1.477100      0.9451000    
 H    4.489900      -2.038200       1.641400    
 H    4.977200     -0.3178000       1.790500    


%chk=000128297-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128297

0 1
O 3.613071 1.822965 0.149645
O 4.361422 -0.993322 -0.151045
O -3.708702 3.206211 0.517773
N -1.684976 -1.844122 -0.215480
C -2.087540 -0.538597 -0.030917
C -2.879925 -2.753368 -0.320705
C -4.115830 -1.803936 -0.168896
C -3.504592 -0.412666 0.011993
C -1.169481 0.555915 0.105706
C 0.257973 0.196431 0.031922
C -0.378377 -2.210936 -0.283775
C 0.628436 -1.194516 -0.159027
C -4.059255 0.838793 0.195305
C -1.738528 1.821445 0.292048
C -3.190260 2.034999 0.345778
C 1.291352 1.162503 0.121235
C 2.012135 -1.549273 -0.204072
C 2.646071 0.803956 0.042099
C 3.012518 -0.580499 -0.086386
C 4.497399 1.983553 -1.031810
C 5.152845 -0.723182 1.074732
H -2.823014 -3.511024 0.479333
H -2.853120 -3.265862 -1.297449
H -4.732350 -2.091818 0.700547
H -4.762614 -1.849355 -1.062489
H -0.138925 -3.265109 -0.430433
H -5.140536 1.010280 0.238589
H -1.122417 2.718333 0.411819
H 1.053233 2.223733 0.237271
H 2.315111 -2.595759 -0.317570
H 5.215466 2.768421 -0.751282
H 3.900779 2.311941 -1.903156
H 5.021350 1.040114 -1.267175
H 6.176658 -1.049229 0.837742
H 4.753392 -1.316212 1.918879
H 5.135532 0.351392 1.329751


