%chk=000158127.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158127

0 1
 O  -0.3695000     -0.8186000      0.1920000    
 O    1.117800      -1.598900       1.778000    
 N   -5.780600       2.793400      0.3056000    
 C    2.304800      0.9308000     -0.1229000    
 C    3.220600     -0.1353000      0.3736000    
 C    1.895400     -0.5110000     -0.1974000    
 C    1.677500       1.810600      0.9058000    
 C    2.588200       1.629500      -1.410900    
 C    4.428400     -0.4811000     -0.3998000    
 C   0.8687000      -1.043700      0.7166000    
 C    5.641800      0.1000000     -0.3365000    
 C    6.777700     -0.3749000      -1.199300    
 C    5.972300       1.247200      0.5757000    
 C   -1.466600      -1.288700      0.9817000    
 C   -2.751100     -0.9686000      0.2753000    
 C   -3.388300      0.2428000      0.5190000    
 C   -3.292600      -1.887400     -0.6168000    
 C   -4.582500      0.5394000     -0.1380000    
 C   -4.486700      -1.590700      -1.274000    
 C   -5.131700     -0.3774000      -1.034500    
 C   -5.243300       1.782600      0.1067000    
 H    3.356400     -0.2340000       1.446200    
 H    1.880200     -0.9707000      -1.182200    
 H    1.571300       1.324900       1.881900    
 H    2.284800       2.709300       1.060900    
 H   0.6806000       2.129800      0.5826000    
 H    3.354200       2.399900      -1.271400    
 H    2.931000      0.9539000      -2.202200    
 H    1.682900       2.121300      -1.784300    
 H    4.310300      -1.315200      -1.090300    
 H    7.129600      0.4377000      -1.843100    
 H    7.612400     -0.7112000     -0.5756000    
 H    6.488700      -1.209800      -1.846300    
 H    6.782500      0.9668000       1.256700    
 H    6.296400       2.113400     -1.0400000E-02
 H    5.122300       1.563500       1.187400    
 H   -1.445700     -0.8076000       1.967600    
 H   -1.376700      -2.371700       1.133300    
 H   -2.955100      0.9559000       1.217000    
 H   -2.797500      -2.834500     -0.8124000    
 H   -4.913900      -2.304300      -1.972500    
 H   -6.061800     -0.1605000      -1.554500    


%chk=000158127-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000158127

0 1
O -0.719191 1.616615 0.194748
O 0.493124 0.653929 1.950093
N -5.295785 -1.981444 -3.084959
C 2.949240 2.254766 0.663244
C 2.959824 0.811581 0.142748
C 1.643035 1.670887 0.033932
C 3.031293 2.468568 2.173498
C 3.627517 3.359454 -0.147459
C 3.668305 0.373966 -1.086752
C 0.478895 1.256420 0.843188
C 4.070201 -0.898357 -1.385786
C 4.805001 -1.193826 -2.682724
C 3.838206 -2.109585 -0.500122
C -1.990139 1.217327 0.890640
C -2.429722 -0.173927 0.483714
C -3.284852 -0.354389 -0.626906
C -1.991261 -1.309918 1.213825
C -3.697255 -1.658174 -1.013141
C -2.400377 -2.607081 0.832632
C -3.251467 -2.790308 -0.276338
C -4.570618 -1.834319 -2.145147
H 2.883387 0.066466 0.943333
H 1.383742 2.051332 -0.957575
H 2.495990 1.681935 2.729892
H 4.090867 2.466569 2.491706
H 2.594570 3.445456 2.455624
H 4.715930 3.368352 0.051325
H 3.482947 3.243455 -1.235487
H 3.220611 4.346457 0.140109
H 3.888807 1.158910 -1.824703
H 5.796972 -1.646729 -2.483801
H 4.243238 -1.924265 -3.298791
H 4.959568 -0.283383 -3.287429
H 3.282922 -2.890924 -1.056095
H 4.803123 -2.564092 -0.198981
H 3.268716 -1.882198 0.415025
H -2.705649 1.986392 0.560074
H -1.823176 1.283104 1.979414
H -3.632463 0.511933 -1.200553
H -1.318862 -1.165123 2.066063
H -2.057034 -3.476805 1.402136
H -3.574979 -3.792125 -0.575915


