%chk=000058026.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058026

0 1
 O  -0.1092000       1.385100      0.7038000    
 O    2.307300      -1.779000     -0.2777000    
 O   0.3643000     -0.7681000       1.366000    
 N   -4.613700      4.2500000E-02 -0.4655000    
 N    5.842200       1.307800      -1.320900    
 C   -3.773400      0.5726000      0.6015000    
 C   -2.337900      0.7364000      0.1129000    
 C   -4.398400      -1.396800     -0.6248000    
 C   -6.026000      0.3174000     -0.1944000    
 C   -1.430300       1.268600       1.213600    
 C   -5.219000      -1.950300      -1.777400    
 C   -6.272800       1.806900     -2.5200000E-02
 C    2.034600      0.5386000      0.2766000    
 C   0.6863000      0.2888000      0.8458000    
 C    2.789000     -0.5042000     -0.2614000    
 C    2.545000       1.836800      0.2842000    
 C    4.053500     -0.2488000     -0.7917000    
 C    4.563800       1.049300     -0.7839000    
 C    3.809500       2.092000     -0.2460000    
 C    3.063400      -2.765900      0.4207000    
 C    2.121900      -3.829600      0.9439000    
 H   -4.071400       1.571700      0.9286000    
 H   -3.811700     -6.4499997E-02   1.495100    
 H   -2.301800       1.419300     -0.7462000    
 H   -1.920700     -0.2105000     -0.2454000    
 H   -3.350200      -1.607100     -0.8587000    
 H   -4.640000      -1.948900      0.2926000    
 H   -6.645400      9.8999999E-03  -1.043100    
 H   -6.386400     -0.2189000      0.6925000    
 H   -1.751900       2.271200       1.515900    
 H   -1.464300      0.6392000       2.111000    
 H   -4.871700      -2.960800      -2.021000    
 H   -5.110500      -1.342200      -2.682000    
 H   -6.281700      -2.038300      -1.531800    
 H   -6.012700       2.169200      0.9739000    
 H   -5.742100       2.401300     -0.7769000    
 H   -7.342500       2.012700     -0.1507000    
 H    1.987300       2.667700      0.7081000    
 H    4.640100      -1.058300      -1.219800    
 H    4.197700       3.107300     -0.2317000    
 H    3.609800      -2.322700       1.262600    
 H    3.784400      -3.215100     -0.2709000    
 H    6.390500      0.5521000      -1.709500    
 H    6.213200       2.248600      -1.313900    
 H    2.673800      -4.618500       1.462400    
 H    1.551700      -4.277900      0.1236000    
 H    1.394400      -3.396000       1.637500    


%chk=000058026-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058026

0 1
O -0.173106 1.276457 0.923589
O 2.672699 -1.896259 0.540252
O 0.164124 -1.013879 1.230296
N -4.903418 0.149748 -0.291952
N 5.788424 1.417335 -1.275836
C -3.968312 0.581431 0.781245
C -2.510879 0.699621 0.282752
C -4.843676 -1.319015 -0.532868
C -6.292386 0.637024 -0.071796
C -1.558236 1.089636 1.423324
C -5.284745 -1.712892 -1.955666
C -6.463234 2.131851 -0.405405
C 1.962447 0.402660 0.312290
C 0.619889 0.094571 0.855014
C 2.984672 -0.595979 0.153224
C 2.284233 1.732539 -0.081579
C 4.250039 -0.249659 -0.375502
C 4.539507 1.088436 -0.757870
C 3.533077 2.086687 -0.603700
C 3.695961 -2.951322 0.389677
C 3.059567 -4.240065 0.902984
H -4.297650 1.572083 1.147765
H -4.010326 -0.111367 1.661735
H -2.469139 1.455786 -0.521936
H -2.171728 -0.260494 -0.146203
H -3.797202 -1.642884 -0.387964
H -5.452905 -1.878902 0.222784
H -6.961914 0.054693 -0.730885
H -6.633828 0.440099 0.977427
H -1.821038 2.070798 1.856106
H -1.553940 0.315202 2.212741
H -5.194968 -2.806158 -2.098859
H -4.650700 -1.203467 -2.701857
H -6.335506 -1.434673 -2.155322
H -5.832070 2.773861 0.235837
H -6.178357 2.317832 -1.455468
H -7.514551 2.444192 -0.259599
H 1.508100 2.491996 0.037555
H 5.024903 -1.012289 -0.497396
H 3.738231 3.123097 -0.894519
H 4.596697 -2.682670 0.980193
H 3.983100 -3.039176 -0.678921
H 6.512306 0.713914 -1.390070
H 5.998328 2.372382 -1.551098
H 3.775243 -5.078386 0.818079
H 2.155802 -4.483639 0.319840
H 2.764463 -4.130154 1.959862


