%chk=000023666.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023666

0 1
 O  -0.1230000      0.9659000       1.061400    
 O   -1.441500      -1.231100       1.625900    
 N    3.258700     -0.3311000      0.3969000    
 N  -0.4321000       3.609100      0.1960000    
 C    3.699500      0.6649000     -0.5827000    
 C    2.906200      -1.582500     -0.2783000    
 C    2.133200      0.1710000       1.171000    
 C    4.070500       1.956800      0.1384000    
 C    4.879300      0.1284000      -1.388400    
 C    1.730600      -1.359600      -1.225400    
 C    2.576000      -2.646300      0.7639000    
 C   0.9587000      0.4955000      0.2617000    
 C   -1.265000       1.326200      0.4063000    
 C   -2.267500      0.4145000      0.1633000    
 C   -1.433700       2.640000     -3.1199999E-02
 C   -2.109900     -0.9974000      0.6216000    
 C   -2.786300      -2.103400     -0.1742000    
 C   -3.430800      0.7480000     -0.4951000    
 C   -2.025700      -3.426600     -8.5900001E-02
 C   -2.601000       3.007700     -0.7006000    
 C   -3.599500       2.061600     -0.9324000    
 C   -2.696700      -4.511500     -0.9123000    
 H    2.958000      0.9519000      -1.331400    
 H    3.763600      -1.988500     -0.8246000    
 H    2.399400       1.048200       1.772300    
 H    1.819400     -0.5303000       1.953000    
 H    1.160800       1.262600     -0.4886000    
 H   0.4296000     -0.3444000     -0.1245000    
 H    4.735800       1.772000      0.9899000    
 H    4.604000       2.633800     -0.5398000    
 H    3.196600       2.515800      0.4878000    
 H    4.578200     -0.6062000      -2.142000    
 H    5.645000     -0.3174000     -0.7431000    
 H    5.365300      0.9402000      -1.943100    
 H    1.984800      -2.011000      -2.082900    
 H   0.8016000      -1.860900     -0.9270000    
 H    1.613500     -0.4268000      -1.780000    
 H    3.350400      -2.705300       1.537300    
 H    2.530800      -3.630200      0.2815000    
 H    1.605900      -2.500800       1.250100    
 H   -3.804100      -2.226900      0.2124000    
 H   -2.842600      -1.810800      -1.228800    
 H   -4.232400      3.8500000E-02 -0.6725000    
 H  -0.9954000      -3.291200     -0.4322000    
 H   -1.966400      -3.755400      0.9585000    
 H   -2.745700       4.028200      -1.045900    
 H   -4.510200       2.349300      -1.449800    
 H   -3.719100      -4.692500     -0.5656000    
 H   -2.139000      -5.449700     -0.8306000    
 H   -2.736400      -4.231300      -1.969700    
 H   0.4109000       3.355800      0.6939000    
 H  -0.5646000       4.559600     -0.1229000    


%chk=000023666-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023666

0 1
O -0.109018 1.154724 0.761111
O -0.739469 -1.544784 0.108185
N 3.346888 -0.294458 0.121247
N -0.906492 3.696291 0.607838
C 4.154281 0.799032 -0.504301
C 3.346341 -1.602114 -0.612615
C 2.080810 0.119153 0.763683
C 4.267384 2.021094 0.439168
C 5.582305 0.315283 -0.857607
C 2.766986 -1.558358 -2.059831
C 2.661715 -2.722614 0.201057
C 1.005828 0.746384 -0.153067
C -1.377769 1.358401 0.180990
C -2.267184 0.316222 -0.223076
C -1.789171 2.734172 0.133059
C -1.928105 -1.138081 -0.068705
C -3.078159 -2.158875 -0.109912
C -3.548488 0.684428 -0.739904
C -2.636389 -3.591985 0.244055
C -3.063993 3.059134 -0.399407
C -3.927463 2.034784 -0.841543
C -3.802787 -4.597748 0.145180
H 3.686352 1.160048 -1.457506
H 4.412010 -1.887675 -0.698557
H 2.300885 0.841116 1.571109
H 1.618300 -0.752867 1.249853
H 1.367790 1.656785 -0.673808
H 0.622695 0.018523 -0.882967
H 4.679454 1.711141 1.417202
H 4.948741 2.768129 -0.006851
H 3.297830 2.520809 0.611354
H 5.592322 -0.440526 -1.661967
H 6.068718 -0.117025 0.036306
H 6.186448 1.172907 -1.205623
H 2.989984 -2.506415 -2.585601
H 1.669595 -1.433859 -2.048665
H 3.207245 -0.735123 -2.652814
H 3.045691 -2.739385 1.237130
H 2.886876 -3.700022 -0.264941
H 1.563307 -2.610281 0.226594
H -3.887306 -1.822998 0.568892
H -3.520136 -2.151284 -1.129284
H -4.243437 -0.092238 -1.068871
H -1.810696 -3.893969 -0.426113
H -2.211073 -3.599656 1.265207
H -3.372271 4.109635 -0.463676
H -4.906258 2.296793 -1.257597
H -4.627841 -4.327539 0.831615
H -3.470026 -5.618867 0.406227
H -4.217485 -4.631585 -0.880555
H -0.058431 3.373037 1.068857
H -1.159637 4.678707 0.631047


