%chk=000161799.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161799

0 1
 O   0.1522000       1.711700     -0.3169000    
 O   -1.538800      -1.016200     -0.2047000    
 O  -0.5734000       3.307100       1.188000    
 O   -3.307200      -2.309700      0.5275000    
 N    2.651800     -0.3700000     -4.8999999E-02
 C    1.323600     -0.3143000      0.2839000    
 C   0.8017000      -1.564200      8.8900000E-02
 C    1.829900      -2.407600     -0.3735000    
 C   0.6863000      0.9330000      0.7564000    
 C    2.971600      -1.641000     -0.4505000    
 C  -0.6139000      -1.971700      0.3241000    
 C    3.587400      0.7315000      7.8999996E-03
 C  -0.4519000       2.879000      4.8200000E-02
 C   -2.856900      -1.317600     -2.9300001E-02
 C  -0.9600000       3.585100      -1.172100    
 C   -3.702400     -0.2351000     -0.6289000    
 H    1.760700      -3.456700     -0.6252000    
 H  -0.1301000      0.6836000       1.446400    
 H    1.397800       1.544800       1.323900    
 H    3.976700      -1.898700     -0.7563000    
 H  -0.8030000      -2.943900     -0.1477000    
 H  -0.7780000      -2.070800       1.404400    
 H    3.747900      0.9939000       1.056500    
 H    4.534700      0.4287000     -0.4460000    
 H    3.171900       1.575500     -0.5483000    
 H   -1.698300       2.959900      -1.680700    
 H  -0.1267000       3.818300      -1.839600    
 H   -1.441400       4.521400     -0.8755000    
 H   -3.516000     -0.1720000      -1.703800    
 H   -3.481700      0.7192000     -0.1436000    
 H   -4.758900     -0.4698000     -0.4704000    


%chk=000161799-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161799

0 1
O 0.543928 2.137538 0.420456
O -1.808373 -1.725282 -0.299673
O -1.463788 1.570974 -0.628464
O -2.580496 -0.545382 1.564643
N 2.467716 -0.183075 -0.189448
C 1.183004 -0.284284 0.370790
C 0.675494 -1.563435 0.044138
C 1.680205 -2.233507 -0.735764
C 0.570222 0.815233 1.176292
C 2.768512 -1.365021 -0.865915
C -0.612041 -2.186327 0.495538
C 3.403641 0.937453 -0.011430
C -0.513493 2.364060 -0.464458
C -2.719256 -0.899747 0.367565
C -0.319731 3.681202 -1.188794
C -3.846320 -0.496249 -0.550645
H 1.605087 -3.236177 -1.154680
H -0.456945 0.547634 1.476440
H 1.164703 1.091647 2.063942
H 3.718514 -1.489901 -1.382149
H -0.587583 -3.274118 0.321528
H -0.831579 -1.980899 1.558078
H 3.973133 0.836266 0.931641
H 4.117207 0.952718 -0.851522
H 2.850634 1.889024 0.003603
H 0.332502 3.522038 -2.067207
H 0.163378 4.424219 -0.535435
H -1.292386 4.054670 -1.542712
H -4.038707 -1.267918 -1.311549
H -3.537313 0.434086 -1.058784
H -4.754267 -0.294039 0.038074


