%chk=000133462.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133462

0 1
 O    4.846800      -3.757500      -1.266400    
 O    3.121900      -3.352000      0.1514000    
 O    2.912900     -0.6165000      -2.692700    
 N    3.399600     -0.6725000     -0.4256000    
 N   -1.789100       3.102000     -0.5187000    
 N    8.656100       1.908800       2.990500    
 N   -3.621700      0.4892000     -0.6902000    
 N   -5.312000       1.176900       1.390200    
 N   -5.793200      -1.058000       1.757700    
 N   -4.795800      -2.772000      0.4094000    
 N   -3.300300      -2.175500      -1.319700    
 N   -6.282600      -3.322600       2.132300    
 C    5.552400      -1.274700      0.6236000    
 C    6.147700      0.1381000      0.6770000    
 C    4.567800      -1.509300     -0.5231000    
 C    7.169800      0.3218000       1.803800    
 C    7.715600       1.749300       1.888100    
 C    4.072700      -2.942600     -0.5021000    
 C    2.658800     -0.2904000      -1.536100    
 C    1.496800      0.5965000      -1.270700    
 C  -0.6854000       2.261200     -0.7718000    
 C   -3.076200       2.826100      -1.125300    
 C    1.500800       1.436700     -0.1573000    
 C   0.4015000      0.5884000      -2.134600    
 C   0.4098000       2.269100      9.2100002E-02
 C  -0.6895000       1.420800      -1.885100    
 C   -3.811700       1.772100     -0.3450000    
 C   -1.647200       4.260800      0.3402000    
 C   -4.647300       2.111400      0.6835000    
 C   -4.287100     -0.4438000      1.7500000E-02
 C   -5.143100     -0.1115000       1.069600    
 C   -4.160400      -1.791900     -0.2581000    
 C   -5.588800      -2.338400       1.395700    
 H    6.372600      -1.999900      0.5416000    
 H    5.058400      -1.484900       1.581900    
 H    6.627500      0.3631000     -0.2834000    
 H    5.339700      0.8681000      0.8071000    
 H    5.049600      -1.318800      -1.489400    
 H    7.999500     -0.3807000       1.654500    
 H    6.698400      5.7700001E-02   2.759100    
 H    3.067700     -0.4507000      0.5075000    
 H    8.214500       2.010900      0.9483000    
 H    6.888300       2.453500       2.027500    
 H   -3.690900       3.737000      -1.132600    
 H   -3.026300       2.561900      -2.185900    
 H    2.345100       1.491900      0.5237000    
 H   0.3802000     -6.1099999E-02  -3.005900    
 H   0.4507000       2.904500      0.9718000    
 H   -1.499700       1.375600      -2.602800    
 H    9.445000       1.276500       2.861900    
 H    9.039900       2.852700       2.974000    
 H   -2.516400       4.924600      0.2725000    
 H  -0.7737000       4.860300      5.9999999E-02
 H   -1.558800       3.960400       1.389900    
 H    4.539700      -4.688600      -1.234100    
 H   -4.819600       3.137100      0.9865000    
 H   -3.224600      -3.165600      -1.517000    
 H   -3.147900      -1.518600      -2.075100    
 H   -6.160800      -4.297800       1.896700    
 H   -6.893300      -3.040500       2.886600    


%chk=000133462-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000133462

0 1
O 5.809928 -3.949168 1.393489
O 4.237240 -3.016219 2.824005
O 3.230314 -0.697839 -1.196964
N 3.731926 -0.962388 1.055373
N -1.864568 2.488189 1.293005
N 9.158511 2.635228 -1.063482
N -3.655405 0.770739 -0.435731
N -6.373587 1.675115 -0.248955
N -7.126036 -0.477756 -0.934720
N -5.475338 -2.270146 -1.405355
N -3.164171 -1.866208 -1.166893
N -7.770616 -2.615124 -1.609578
C 6.261167 -1.019901 0.857975
C 6.361865 0.108719 -0.189067
C 4.904485 -1.795230 0.777401
C 7.718375 0.843913 -0.118777
C 7.844555 1.964467 -1.170965
C 4.911254 -2.950727 1.769598
C 2.927435 -0.480901 0.025811
C 1.706928 0.289508 0.416675
C -0.710718 1.758054 0.991316
C -2.782314 2.980848 0.251966
C 1.389227 0.692262 1.740177
C 0.791631 0.640414 -0.612727
C 0.213565 1.406664 2.027773
C -0.389195 1.343715 -0.343272
C -3.944600 2.043361 -0.060798
C -2.257154 2.702052 2.694156
C -5.312917 2.465430 0.027441
C -4.708459 -0.050715 -0.714645
C -6.089402 0.370417 -0.638862
C -4.455500 -1.434650 -1.111091
C -6.759061 -1.740149 -1.305128
H 7.078574 -1.750924 0.704946
H 6.378464 -0.599934 1.877603
H 6.208548 -0.316273 -1.200734
H 5.538537 0.832021 -0.031982
H 4.793925 -2.185428 -0.252592
H 8.542644 0.112530 -0.266217
H 7.868658 1.291674 0.882906
H 3.408874 -0.946144 2.025045
H 7.637722 1.529857 -2.180391
H 7.058456 2.721771 -0.985166
H -3.191211 3.956771 0.575096
H -2.206525 3.176779 -0.670679
H 2.066968 0.481356 2.576587
H 1.037239 0.332058 -1.634733
H 0.022842 1.707490 3.061555
H -1.086693 1.534745 -1.162493
H 9.952121 2.001109 -1.207789
H 9.245946 3.483191 -1.632806
H -3.255825 3.166626 2.725171
H -1.550979 3.372910 3.223919
H -2.313232 1.747148 3.251871
H 5.811445 -4.670932 2.079406
H -5.546907 3.493791 0.332499
H -2.960834 -2.827848 -1.430785
H -2.420888 -1.211897 -0.914575
H -7.540274 -3.565971 -1.885095
H -8.732560 -2.289848 -1.554717


