%chk=000009913.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009913

0 1
 O    1.597100      -2.766600       1.264900    
 O   0.2530000       1.440800     -0.3789000    
 O   -4.356200       1.934100      0.3462000    
 O    3.396300       3.306500      0.4322000    
 N  -0.2998000      -1.497400     -0.4812000    
 N    3.847900     -0.2796000     -0.2993000    
 N   -3.511100     -0.2180000      8.3600000E-02
 N   -2.052400       1.713000     -1.5000000E-02
 N   -2.339800      -2.360000     -0.2275000    
 C    1.913700      -1.529800      0.6217000    
 C    1.127400      -1.458700     -0.6933000    
 C    3.429800      -1.486300      0.4016000    
 C   -1.140700     -0.4392000     -0.2885000    
 C   -2.381700     -0.9946000     -0.1358000    
 C   -1.068100      -2.632100     -0.4363000    
 C    3.464100      0.9156000      0.4548000    
 C  -0.8689000      0.9610000     -0.2411000    
 C   -3.386200       1.192200      0.1531000    
 C    5.294000     -0.2905000     -0.5296000    
 C    3.800300       2.175000     -0.3277000    
 C   -4.816000     -0.8481000      0.2417000    
 C   -1.902700       3.162900      5.4600000E-02
 H    1.587000     -0.7530000       1.319700    
 H    1.370900      -2.324600      -1.322600    
 H    1.360700     -0.5654000      -1.278800    
 H    3.937400      -1.585700       1.371200    
 H    3.718600      -2.375500     -0.1753000    
 H  -0.6505000      -3.621900     -0.5622000    
 H    3.955500      0.9477000       1.437100    
 H    2.395000      0.9600000      0.6615000    
 H    5.598200      0.4698000      -1.255200    
 H    5.601200      -1.244500     -0.9755000    
 H    5.866700     -0.1569000      0.3954000    
 H   0.7084000      -2.684400       1.650100    
 H    3.287100       2.204100      -1.294700    
 H    4.872300       2.297400     -0.4981000    
 H   -5.604000     -0.1090000      0.4070000    
 H   -4.781500      -1.525200       1.100700    
 H   -5.048500      -1.415000     -0.6651000    
 H  -0.8676000       3.489000     -6.9200002E-02
 H   -2.275900       3.506700       1.024600    
 H   -2.520100       3.614800     -0.7283000    
 H    2.431800       3.256100      0.5453000    


%chk=000009913-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000009913

0 1
O 1.656653 -2.905399 1.331134
O 0.319788 1.613057 -0.059764
O -4.353109 1.977024 0.418254
O 2.702166 3.223305 -0.162388
N -0.199806 -1.442479 -0.539291
N 3.928208 -0.335722 -0.142413
N -3.484590 -0.162752 0.000125
N -2.030768 1.762760 0.170565
N -2.326733 -2.296565 -0.463398
C 1.929793 -1.569529 0.768912
C 1.275094 -1.409976 -0.621997
C 3.469327 -1.477263 0.677991
C -1.063986 -0.365706 -0.259887
C -2.354538 -0.929913 -0.230085
C -1.003604 -2.565832 -0.640454
C 3.623857 0.994285 0.450140
C -0.818936 1.037546 -0.056581
C -3.358589 1.229299 0.208239
C 5.340085 -0.465471 -0.557380
C 3.532856 2.111285 -0.622422
C -4.822619 -0.788332 0.019557
C -1.944570 3.226604 0.392470
H 1.526469 -0.784458 1.441031
H 1.602062 -2.239482 -1.272537
H 1.599379 -0.459394 -1.070270
H 3.873382 -1.467756 1.720185
H 3.825542 -2.412844 0.205944
H -0.598422 -3.550344 -0.860199
H 4.358382 1.275445 1.243271
H 2.632588 0.941870 0.931217
H 5.599794 0.346409 -1.258333
H 5.491880 -1.426119 -1.081321
H 6.056657 -0.419487 0.300565
H 0.767696 -2.911389 1.767000
H 3.132714 1.658450 -1.555423
H 4.516940 2.559785 -0.840673
H -5.558530 0.005499 0.211608
H -4.869385 -1.553440 0.812058
H -5.025553 -1.272384 -0.949992
H -0.884405 3.511901 0.351997
H -2.376072 3.483644 1.373128
H -2.515259 3.758631 -0.385616
H 1.770867 2.879936 -0.077167


