%chk=000162231.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162231

0 1
 O    1.299100      0.7312000     -2.6400000E-02
 O    2.526200       2.036900      -1.471700    
 N   -2.252100       1.683400      0.2495000    
 N   -4.862200     -0.9614000     -0.1078000    
 N    6.813400      -2.200500      0.7843000    
 C   -3.427000      0.8938000      0.6022000    
 C   -3.695100     -0.1581000     -0.4700000    
 C   -1.026800      0.9224000      0.4981000    
 C   -2.231500       2.939400       1.000900    
 C   -4.489400      -2.001200      0.8507000    
 C   -5.462800      -1.557400      -1.300600    
 C   0.1296000       1.487600     -0.3111000    
 C   -3.465500       3.775400      0.7068000    
 C   -5.701600      -2.807300       1.285400    
 C   -4.495000      -2.506400      -1.986700    
 C    2.432300       1.114000     -0.6774000    
 C    3.576400      0.2481000     -0.2962000    
 C    4.835800      0.4707000     -0.8532000    
 C    3.392100     -0.7881000      0.6194000    
 C    5.910700     -0.3425000     -0.4948000    
 C    4.467100      -1.601400      0.9778000    
 C    5.726300      -1.378700      0.4207000    
 H   -4.340300       1.493700      0.6522000    
 H   -3.297400      0.4535000       1.598300    
 H   -2.824400     -0.7953000     -0.6523000    
 H   -3.885300      0.3842000      -1.407200    
 H   -1.115500     -0.1328000      0.2188000    
 H  -0.7705000      0.9020000       1.566500    
 H   -2.156500       2.767500       2.082300    
 H   -1.366100       3.543400      0.7100000    
 H   -3.690800      -2.666400      0.5034000    
 H   -4.100600      -1.529700       1.760700    
 H   -6.407400      -2.064300      -1.076500    
 H   -5.743900     -0.7614000      -2.002500    
 H   0.3294000       2.533100     -5.6299999E-02
 H  -9.3099996E-02   1.420000      -1.383200    
 H   -3.285100       4.810200       1.020800    
 H   -4.347600       3.440500       1.260300    
 H   -3.698900       3.799900     -0.3632000    
 H   -6.537800      -2.159700       1.570900    
 H   -6.041500      -3.505300      0.5144000    
 H   -5.444400      -3.410800       2.163200    
 H   -3.556500      -2.034300      -2.290000    
 H   -4.271900      -3.400600      -1.398500    
 H   -4.961400      -2.867400      -2.911700    
 H    5.000100       1.272700      -1.568000    
 H    2.429500     -0.9969000       1.077400    
 H    6.887200     -0.1589000     -0.9355000    
 H    4.311300      -2.405600       1.692600    
 H    6.679700      -2.953200       1.446400    
 H    7.726200      -2.041000      0.3792000    


%chk=000162231-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162231

0 1
O 1.336934 0.610304 0.120302
O 2.403059 1.698735 -1.647166
N -2.250842 1.613688 0.509093
N -4.884004 -1.089469 -0.091662
N 7.192068 -1.915335 0.888131
C -3.452073 0.782289 0.768699
C -3.741659 -0.192224 -0.397480
C -0.971248 0.915813 0.783740
C -2.315515 2.975084 1.104103
C -4.485410 -2.269056 0.717523
C -5.748495 -1.390044 -1.261175
C 0.078293 1.304561 -0.265076
C -3.246447 3.925263 0.327511
C -5.679972 -3.018115 1.337308
C -5.130528 -2.290170 -2.367411
C 2.458616 0.895295 -0.678452
C 3.661154 0.152321 -0.242426
C 4.874406 0.342880 -0.958940
C 3.652433 -0.744468 0.860807
C 6.043858 -0.336468 -0.591259
C 4.816948 -1.429836 1.237821
C 6.035515 -1.237762 0.517380
H -4.330507 1.441130 0.878925
H -3.363696 0.215117 1.727774
H -2.812969 -0.761300 -0.649704
H -3.984285 0.415074 -1.288349
H -1.131157 -0.176253 0.733928
H -0.575651 1.136303 1.803218
H -2.626360 2.934560 2.178546
H -1.292806 3.396736 1.091937
H -3.860225 -2.989010 0.129492
H -3.839663 -1.899988 1.536473
H -6.681266 -1.856779 -0.892860
H -6.044691 -0.420644 -1.705536
H 0.261593 2.394059 -0.294377
H -0.227752 0.980866 -1.275147
H -3.248597 4.929810 0.790706
H -4.288922 3.559009 0.317024
H -2.907445 4.016704 -0.719016
H -6.316599 -2.316207 1.904767
H -6.305430 -3.510110 0.570831
H -5.320641 -3.804212 2.026815
H -4.214860 -1.838171 -2.791131
H -4.869674 -3.291708 -1.979068
H -5.853455 -2.427963 -3.193199
H 4.872270 1.034945 -1.807847
H 2.720956 -0.893925 1.414133
H 6.971716 -0.178586 -1.154321
H 4.796777 -2.118873 2.091025
H 7.191701 -2.555592 1.677077
H 8.061045 -1.781280 0.378912


