%chk=000039964.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039964

0 1
 O  -0.2522000      -1.398600      0.1434000    
 O    6.886500       1.293600      0.5530000    
 O    4.847000       1.402200       1.535300    
 O   -7.041100     -0.6311000      0.3137000    
 O   -6.853600       1.514100     -0.1344000    
 N   0.1925000      0.7742000     -0.3236000    
 N   -6.347300      0.3853000      7.1699999E-02
 C    5.139900     -8.6900003E-02 -0.3786000    
 C    3.709000     -0.4879000     -0.2290000    
 C    1.371100      7.3700003E-02 -0.2348000    
 C    2.705300      0.4798000     -0.3808000    
 C    1.102900      -1.256700      5.1300000E-02
 C    3.394400      -1.821500      5.9900001E-02
 C    2.068700      -2.243100      0.2088000    
 C  -0.7223000     -0.1417000     -9.2500001E-02
 C    5.488300      0.4708000      -1.772700    
 C   -2.152200     -7.6000001E-03 -5.1500000E-02
 C    5.580500      0.9362000      0.6730000    
 C   -2.954900      -1.120100      0.2158000    
 C   -2.748600       1.235900     -0.2778000    
 C   -4.343000     -0.9899000      0.2565000    
 C   -4.136800       1.366100     -0.2369000    
 C   -4.934200      0.2531000      3.0300001E-02
 H    5.773200     -0.9686000     -0.2085000    
 H    2.938600       1.515400     -0.6057000    
 H    4.184900      -2.560300      0.1744000    
 H    1.814700      -3.271700      0.4320000    
 H    5.150400     -0.2131000      -2.559200    
 H    5.019300       1.445600      -1.947400    
 H    6.569500      0.6022000      -1.889200    
 H   -2.532800      -2.105400      0.3976000    
 H   -2.147400       2.117600     -0.4878000    
 H   -4.932400      -1.878600      0.4675000    
 H   -4.562000       2.350100     -0.4181000    
 H    7.148600       1.952100       1.231300    


%chk=000039964-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039964

0 1
O -0.196259 -1.533067 0.154056
O 6.273348 0.734152 1.588595
O 5.295032 2.374424 0.268677
O -7.157606 -0.571815 0.376471
O -6.898236 1.652767 -0.062382
N 0.195728 0.710749 -0.306571
N -6.427298 0.466261 0.135123
C 5.267189 0.008919 -0.489099
C 3.808514 -0.430219 -0.282511
C 1.435919 0.028884 -0.244690
C 2.752153 0.503495 -0.409871
C 1.197668 -1.348363 0.038287
C 3.534043 -1.801687 0.006316
C 2.218282 -2.294021 0.171430
C -0.730831 -0.213406 -0.072492
C 5.542837 0.421117 -1.958874
C -2.179282 -0.059925 -0.016771
C 5.590767 1.172682 0.446816
C -3.025073 -1.173437 0.245649
C -2.745052 1.229323 -0.229198
C -4.419155 -1.004693 0.295846
C -4.136745 1.406506 -0.180523
C -4.956291 0.284337 0.081719
H 5.927593 -0.828339 -0.207065
H 2.945931 1.560729 -0.614346
H 4.374133 -2.497876 0.107237
H 2.018394 -3.345097 0.392694
H 5.278683 -0.407100 -2.638541
H 4.945377 1.306726 -2.232974
H 6.609223 0.669099 -2.105248
H -2.581615 -2.159628 0.407513
H -2.076526 2.071829 -0.428771
H -5.093881 -1.840865 0.495360
H -4.598956 2.383998 -0.338782
H 6.436493 1.508741 2.193920


