%chk=000162604.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162604

0 1
 O   -3.532400      0.5273000     -0.8699000    
 O   -5.226100      -1.794300      0.2581000    
 O   -5.055000       2.865400     -0.6936000    
 O    3.246700      0.6963000      5.4299999E-02
 N   -1.324500      0.1208000     -0.1035000    
 N   0.3307000       1.609900      6.5700002E-02
 N  -2.3300000E-02  -1.925800     -0.2531000    
 N    2.371700      -1.466700     -0.1564000    
 N    1.552900      -3.651300     -0.3682000    
 C   -2.681800     -0.4066000     -0.1824000    
 C   -4.797600     -0.5610000      0.8314000    
 C   -3.328600     -0.6758000       1.168700    
 C   -4.826400      0.5332000     -0.2306000    
 C   -5.054600       1.917900      0.3597000    
 C  -0.1598000     -0.5961000     -0.1392000    
 C  -0.9744000       1.441700      1.9800000E-02
 C   0.8523000      0.3444000     -3.2600001E-02
 C    2.158800     -0.1334000     -4.3699998E-02
 C    1.283400      -2.268200     -0.2526000    
 C    4.526500      7.7000000E-02  3.0300001E-02
 C    5.595500       1.151500      0.1698000    
 C    7.000400      0.5566000      0.1358000    
 C    8.065500       1.637100      0.2321000    
 H   -2.639600      -1.315400     -0.7945000    
 H   -5.431400     -0.3596000       1.698900    
 H   -3.049400      9.5799997E-02   1.896100    
 H   -3.037100      -1.652100       1.568100    
 H   -5.568100      0.3332000      -1.012200    
 H   -4.254100       2.192800       1.054000    
 H   -6.016800       1.968500      0.8785000    
 H   -4.775800      -1.920100     -0.5937000    
 H   -1.707100       2.235000      7.6499999E-02
 H   -5.203300       3.739100     -0.2934000    
 H    4.663400     -0.4559000     -0.9189000    
 H    4.614000     -0.6340000      0.8613000    
 H    5.438600       1.703200       1.105200    
 H    5.475400       1.887400     -0.6353000    
 H    7.144800     -5.9000002E-03 -0.7941000    
 H    7.126000     -0.1493000      0.9649000    
 H   0.7837000      -4.302500     -0.4429000    
 H    2.511400      -3.971500     -0.3732000    
 H    7.988100       2.340200     -0.6034000    
 H    7.969100       2.200600       1.165700    
 H    9.063600       1.188700      0.2074000    


%chk=000162604-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162604

0 1
O -3.840885 0.442431 -1.159316
O -5.870322 -1.408769 0.128774
O -3.838130 3.018848 0.205802
O 3.048274 0.694576 -0.110955
N -1.528388 0.014345 -0.662311
N 0.150478 1.583914 -0.720089
N -0.213227 -1.998921 -0.086833
N 2.180730 -1.485854 0.170856
N 1.359749 -3.658732 0.450502
C -2.867531 -0.604488 -0.836211
C -4.763363 -0.653292 0.728498
C -3.382184 -1.310900 0.453702
C -4.625076 0.742461 0.078417
C -3.954832 1.781607 0.984995
C -0.352314 -0.670978 -0.357008
C -1.163948 1.363330 -0.887107
C 0.680079 0.318532 -0.390805
C 1.984946 -0.172099 -0.103801
C 1.091332 -2.336654 0.167105
C 4.399312 0.128142 0.173278
C 5.390587 1.284371 0.043012
C 6.841491 0.824540 0.320801
C 7.859880 1.975958 0.178387
H -2.820354 -1.279398 -1.707973
H -5.014303 -0.616279 1.800093
H -2.680929 -1.143488 1.287402
H -3.490195 -2.397187 0.317244
H -5.591274 1.133013 -0.279718
H -2.960793 1.428471 1.330030
H -4.607041 1.930676 1.873181
H -5.761604 -1.390107 -0.857814
H -1.913465 2.107735 -1.146623
H -3.367731 3.705626 0.741858
H 4.603091 -0.684071 -0.548982
H 4.393882 -0.308595 1.189505
H 5.107885 2.088631 0.748932
H 5.318628 1.711952 -0.975241
H 7.110225 0.005715 -0.377623
H 6.905352 0.397567 1.342572
H 0.598734 -4.331303 0.450593
H 2.318060 -3.938563 0.635785
H 7.838377 2.398310 -0.843568
H 7.631957 2.796302 0.884484
H 8.890142 1.630724 0.381072


