%chk=000126631.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126631

0 1
 O   0.1379000      0.4022000      0.2077000    
 O  -4.4300001E-02  -1.642200     -0.8772000    
 O   -2.406500       1.958200      -1.531500    
 O    6.343500      0.1863000     -0.9238000    
 O    6.274200     -0.8364000       1.017400    
 N   -1.943700     -0.4508000     -0.3167000    
 N   -2.470500      0.6397000      0.3539000    
 N   -4.830400      -4.318700      0.6684000    
 N   -3.202200       2.876000      0.4498000    
 N    5.705300     -0.2541000      6.2600002E-02
 C   -2.949000      -1.356800     -0.8322000    
 C   -3.401300      -2.381600      0.2041000    
 C   -4.444700      -3.351300     -0.3530000    
 C  -0.5738000     -0.6529000     -0.3736000    
 C   -2.677000       1.831400     -0.3334000    
 C    1.525900      0.2391000      0.1720000    
 C   -3.514000       2.700400       1.865700    
 C   -3.467600       4.197300     -0.1033000    
 C    2.256900      0.7203000     -0.9142000    
 C    2.179800     -0.4057000       1.222100    
 C    4.295500     -8.7899998E-02  9.9699996E-02
 C    3.641600      0.5568000     -0.9503000    
 C    3.564500     -0.5692000       1.185800    
 H   -2.517300      -1.883300      -1.691800    
 H   -3.803100     -0.7776000      -1.203600    
 H   -3.812300      -1.858600       1.077600    
 H   -2.528700      -2.943400      0.5630000    
 H   -5.330900      -2.801200     -0.6877000    
 H   -4.036600      -3.886700      -1.216800    
 H   -2.665100      0.4969000       1.337800    
 H   -5.237400      -3.831900       1.466100    
 H   -5.562200      -4.924900      0.3000000    
 H   -3.936500       3.619000       2.283300    
 H   -4.240600       1.890300       1.978500    
 H   -2.596600       2.449500       2.406400    
 H   -2.874100       4.934700      0.4447000    
 H   -3.203800       4.242400      -1.162900    
 H   -4.532600       4.419600      9.6000005E-03
 H    1.752400       1.223500      -1.734500    
 H    1.615100     -0.7822000       2.070600    
 H    4.178300      0.9445000      -1.812500    
 H    4.040000      -1.076400       2.021400    


%chk=000126631-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126631

0 1
O 0.205022 -0.465113 0.821096
O -0.036038 -2.186495 -0.791201
O -1.559343 1.262556 -1.143615
O 5.757538 1.513204 -1.644939
O 6.340931 1.209360 0.539811
N -1.905767 -1.106757 0.150427
N -2.348276 0.091473 0.735083
N -6.193171 -3.658996 0.192033
N -2.533375 2.452513 0.634587
N 5.482700 1.175907 -0.427550
C -2.898218 -1.862163 -0.655682
C -4.045608 -2.419542 0.204986
C -5.080503 -3.180981 -0.651060
C -0.548100 -1.320686 -0.055863
C -2.103294 1.295282 0.002336
C 1.520487 -0.109737 0.453681
C -3.249623 2.449427 1.919431
C -2.226009 3.752482 0.014628
C 1.838642 0.276264 -0.870848
C 2.480849 -0.074240 1.489561
C 4.107498 0.728768 -0.122128
C 3.147847 0.695624 -1.160718
C 3.789523 0.352224 1.202615
H -2.341713 -2.676783 -1.148954
H -3.287062 -1.189619 -1.445799
H -4.550383 -1.582173 0.728766
H -3.652452 -3.104121 0.978194
H -5.402351 -2.523641 -1.497338
H -4.593889 -4.065607 -1.104710
H -2.341247 0.100166 1.757386
H -6.747527 -2.908438 0.616079
H -6.784037 -4.371916 -0.244999
H -3.819253 3.389005 2.014024
H -3.972821 1.615558 1.962546
H -2.564950 2.382913 2.790689
H -1.592575 4.367612 0.681811
H -1.686807 3.567990 -0.926456
H -3.156811 4.308010 -0.207288
H 1.065574 0.264097 -1.643513
H 2.192028 -0.385114 2.497197
H 3.437311 1.004440 -2.168226
H 4.563353 0.391548 1.973119


