%chk=000162944.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162944

0 1
 O   -2.826900      -1.589700     -0.2294000    
 O    2.341400      0.9452000      -1.646800    
 O  -0.1536000     -0.8632000      0.2828000    
 N   -5.259900     -0.8057000     -0.7184000    
 N   -1.946800      0.5729000     -0.1233000    
 N    4.834100       1.585200     -0.3077000    
 N    1.601100       1.180200      0.5412000    
 C   -4.280500      0.2698000     -0.5633000    
 C   -4.771500       1.122900      0.6028000    
 C   -6.069100      0.4637000       1.046400    
 C   -6.518400     -0.2940000     -0.1851000    
 C    4.391200     -0.8343000     -0.3155000    
 C    3.480400      -2.007800      0.1052000    
 C    3.907700      0.5476000      0.1528000    
 C   -2.957900     -0.3704000     -0.2954000    
 C    3.971600      -3.352800     -0.4321000    
 C    3.387300      -2.066000       1.632700    
 C    2.550500      0.9173000     -0.4354000    
 C   0.2314000       1.523600      0.2350000    
 C  -0.6123000      0.2687000      0.1540000    
 C    4.700200       2.786700      0.4994000    
 H   -4.216000      0.8602000      -1.484600    
 H   -4.072500       1.195500       1.442400    
 H   -4.982100       2.140100      0.2509000    
 H   -6.810400       1.193800       1.384200    
 H   -5.871700     -0.2307000       1.872500    
 H   -6.993900      0.3742000     -0.9120000    
 H   -7.218900      -1.099300      5.4000001E-02
 H   -4.984000      -1.605500     -0.1462000    
 H    4.469900     -0.8414000      -1.411500    
 H    5.405300      -1.015100      6.6399999E-02
 H    2.473700      -1.844400     -0.2970000    
 H    3.881300      0.5501000       1.247700    
 H    3.291900      -4.161700     -0.1441000    
 H    4.968900      -3.592500     -4.8000000E-02
 H    4.025600      -3.333900      -1.525600    
 H    2.848500      -1.206700       2.041400    
 H    2.837100      -2.958800       1.950500    
 H    4.380100      -2.104500       2.093600    
 H   -2.194400       1.555300     -0.2154000    
 H    5.793000       1.247500     -0.2229000    
 H   0.1856000       2.058600     -0.7188000    
 H  -0.1419000       2.166200       1.037900    
 H    1.858300       1.114400       1.521400    
 H    4.915500       2.594800       1.556000    
 H    5.418900       3.535000      0.1495000    
 H    3.706200       3.235900      0.4112000    


%chk=000162944-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162944

0 1
O -3.677719 -0.332289 2.127494
O 2.466384 0.425572 -1.703458
O -0.765606 -0.113204 1.954855
N -6.043159 -0.436577 0.645858
N -2.346544 -0.033098 0.199791
N 4.248641 1.727864 0.546360
N 1.351287 0.089089 0.293106
C -4.808508 -0.013211 -0.045252
C -5.047698 1.484178 -0.482721
C -6.134751 1.977157 0.504749
C -7.003999 0.705785 0.683957
C 4.915546 -0.480933 -0.328089
C 4.617597 -1.987827 -0.542866
C 3.811895 0.328238 0.391261
C -3.583273 -0.143884 0.892873
C 5.757073 -2.627757 -1.371621
C 4.420652 -2.755893 0.787006
C 2.504895 0.288007 -0.442772
C 0.046506 0.064660 -0.349588
C -1.040891 -0.036952 0.733333
C 3.503536 2.551803 1.507475
H -4.607653 -0.633051 -0.946594
H -4.126977 2.093270 -0.451748
H -5.435744 1.502551 -1.517539
H -6.701440 2.837742 0.109093
H -5.678330 2.268534 1.468416
H -7.731566 0.621850 -0.147069
H -7.571896 0.697095 1.630634
H -5.827310 -0.808361 1.581910
H 5.077589 -0.000581 -1.311777
H 5.855602 -0.382670 0.257192
H 3.683603 -2.066577 -1.136140
H 3.599579 -0.137104 1.389797
H 5.544602 -3.691616 -1.586063
H 6.717457 -2.580484 -0.821593
H 5.891377 -2.105153 -2.336668
H 3.548107 -2.388038 1.357382
H 4.260283 -3.833178 0.594917
H 5.315343 -2.658729 1.432852
H -2.418863 0.057110 -0.819290
H 5.267143 1.810285 0.626439
H -0.034155 -0.792958 -1.050324
H -0.096981 0.976237 -0.965886
H 1.359277 -0.009114 1.314563
H 3.425941 2.100081 2.528410
H 3.993019 3.536514 1.604713
H 2.474131 2.732618 1.146023


