%chk=000121651.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121651

0 1
 O    1.440300      -1.143400     -0.8069000    
 O    2.125500     -0.2810000       1.220600    
 N   -2.656300      -1.578200     -3.6400001E-02
 C   9.4599999E-02 -0.7719000     -0.5149000    
 C   -1.789800      -1.129900       1.073400    
 C  -0.3409000      -1.511500      0.7563000    
 C  -0.8220000      -1.209500      -1.672000    
 C   -1.835800      0.3750000       1.428000    
 C   -2.307900      -1.014500      -1.344600    
 C   1.9999999E-04  0.7336000     -0.3118000    
 C  -0.9418000       1.266400      0.5935000    
 C   -4.079800      -1.421700      0.2449000    
 C   0.7983000       1.613900      -1.061300    
 C   -1.039300       2.657200      0.7535000    
 C   0.6860000       2.994500     -0.8964000    
 C  -0.2297000       3.515700      1.2300000E-02
 C    2.362000     -0.8357000      0.1562000    
 C    3.726500      -1.292400     -0.3038000    
 C    4.809900     -0.9669000      0.7094000    
 H   -2.093700      -1.693000       1.965900    
 H   0.2553000      -1.311300       1.649900    
 H  -0.2547000      -2.596700      0.6026000    
 H  -0.6354000      -2.269100      -1.895400    
 H  -0.5710000     -0.6693000      -2.593800    
 H   -1.500000      0.4799000       2.469200    
 H   -2.863500      0.7525000       1.398400    
 H   -2.568800      4.9600001E-02  -1.397800    
 H   -2.892100      -1.515100      -2.126900    
 H   -4.397200     -0.3740000      0.2550000    
 H   -4.339700      -1.872900       1.208700    
 H   -4.674900      -1.944200     -0.5126000    
 H    1.508400       1.235200      -1.792300    
 H   -1.752300       3.078000       1.458500    
 H    1.311300       3.662900      -1.481300    
 H  -0.3162000       4.590500      0.1414000    
 H    3.693000      -2.375000     -0.4649000    
 H    3.956400     -0.7949000      -1.252000    
 H    4.610300      -1.455400       1.669000    
 H    5.784900      -1.307600      0.3480000    
 H    4.868600      0.1118000      0.8890000    


%chk=000121651-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000121651

0 1
O 1.502653 -1.102081 -0.697783
O 2.410705 -0.354800 1.336006
N -2.680579 -1.543392 -0.048024
C 0.085640 -0.712354 -0.343891
C -1.888581 -1.085609 1.126998
C -0.403512 -1.454562 0.914787
C -0.726168 -1.217671 -1.563352
C -1.982993 0.435812 1.471440
C -2.236325 -0.986959 -1.347105
C -0.049361 0.804598 -0.194347
C -1.072536 1.336460 0.639072
C -4.139645 -1.472706 0.135603
C 0.767750 1.680965 -0.949167
C -1.233921 2.743485 0.706423
C 0.599602 3.077977 -0.869553
C -0.408444 3.614067 -0.034154
C 2.547050 -0.878914 0.209105
C 3.855678 -1.372472 -0.396371
C 5.062614 -1.159575 0.533686
H -2.273490 -1.652045 1.997266
H 0.189576 -1.159021 1.795105
H -0.310512 -2.543703 0.758705
H -0.526046 -2.297272 -1.686481
H -0.392718 -0.693661 -2.477199
H -1.715349 0.557576 2.541450
H -3.032566 0.779159 1.381977
H -2.467029 0.102928 -1.442146
H -2.797208 -1.502095 -2.150241
H -4.555058 -0.433689 0.137733
H -4.417302 -1.950892 1.092583
H -4.640260 -2.026927 -0.679741
H 1.546067 1.259751 -1.595410
H -2.019687 3.157435 1.351294
H 1.246611 3.743715 -1.451520
H -0.549788 4.698511 0.035174
H 3.728433 -2.442307 -0.650877
H 3.999371 -0.853981 -1.364179
H 4.925378 -1.694410 1.488948
H 5.986247 -1.529219 0.054166
H 5.194403 -0.090523 0.772622


