%chk=000103549.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103549

0 1
 O   -5.768100     -0.5635000      -1.429000    
 O   -1.902500      -1.518300     -0.3688000    
 O    1.338000       1.718500      0.8995000    
 O    3.368000       2.162200     -0.7234000    
 N   -4.270500     -0.8237000      0.3518000    
 N  -0.8297000      2.3100000E-02  0.9975000    
 N   0.4249000     -0.3915000      0.6211000    
 C   -3.223900     -6.3000001E-02  0.9737000    
 C   -3.494800       1.359900      0.5235000    
 C   -4.217300       1.201900     -0.8140000    
 C   -4.882300     -0.1478000     -0.6982000    
 C   -1.931300     -0.6006000      0.4485000    
 C    1.452500      0.5321000      0.6021000    
 C    2.775500      1.4900000E-02  0.1652000    
 C    3.663700      0.8554000     -0.4740000    
 C    3.070200      -1.309900      0.4186000    
 C    4.900000      0.3502000     -0.8771000    
 C    4.306400      -1.814900      1.5300000E-02
 C    5.221200     -0.9850000     -0.6325000    
 H   -3.271700     -0.1853000       2.059800    
 H   -2.606200       1.991600      0.4339000    
 H   -4.174400       1.843900       1.236700    
 H   -3.510600       1.175400      -1.649300    
 H   -4.956400       1.991000     -0.9721000    
 H   -4.514800      -1.772200      0.6193000    
 H  -0.8865000      0.7567000       1.696600    
 H   0.5084000      -1.358700      0.3270000    
 H    2.398600      -1.978200      0.9477000    
 H    5.622700      0.9852000      -1.382600    
 H    4.560000      -2.852600      0.2121000    
 H    6.184300      -1.378000     -0.9449000    
 H    4.120700       2.577000      -1.178800    


%chk=000103549-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103549

0 1
O -6.000911 -1.568908 0.030699
O -1.813051 -0.588942 -1.027937
O 1.551847 1.075660 1.978580
O 3.913882 2.092580 0.466331
N -4.104534 -0.532283 0.970603
N -0.710587 0.388065 0.746503
N 0.528440 0.007474 0.218696
C -3.165556 0.566407 0.713556
C -3.980766 1.474785 -0.274436
C -4.984922 0.511539 -0.952547
C -5.135101 -0.656889 0.036278
C -1.862470 0.063982 0.064371
C 1.670779 0.390594 0.912414
C 2.950081 -0.113487 0.320114
C 4.078214 0.739785 0.159531
C 3.076176 -1.480337 -0.039804
C 5.299354 0.222405 -0.337286
C 4.289818 -1.999727 -0.538319
C 5.404010 -1.141663 -0.681318
H -2.925785 1.109730 1.648189
H -3.320226 1.986125 -0.992289
H -4.516146 2.240780 0.312750
H -4.587354 0.103403 -1.898236
H -5.967812 0.964763 -1.156715
H -3.935895 -1.260087 1.666528
H -0.618678 0.925981 1.617471
H 0.474861 -0.466033 -0.688625
H 2.219890 -2.148697 0.106667
H 6.163306 0.888177 -0.460897
H 4.368092 -3.059246 -0.799602
H 6.354633 -1.530921 -1.061024
H 4.760508 2.590785 0.344955


