%chk=000001063.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001063

0 1
 O    4.182700      0.1412000      -1.827600    
 O    3.022600      -2.253500      0.5522000    
 O  -0.6608000      -1.773600     -0.6901000    
 N    1.555200       1.008600      0.4819000    
 N   -2.725400       2.303400      0.2505000    
 N   -4.024100      0.3264000      0.3437000    
 N   -2.903300      -1.732100     -0.1501000    
 N   -5.157000      -1.739600      0.3866000    
 C    2.960400      0.9739000      9.1200002E-02
 C    3.279400     -0.2507000     -0.7914000    
 C    3.960800      -1.279900      0.1211000    
 C    3.862000      0.7655000       1.271800    
 C    4.403000     -0.4566000       1.286700    
 C   0.6978000       1.210400     -0.6858000    
 C  -0.7361000       1.241900     -0.3399000    
 C   -1.671600      0.3005000     -0.2207000    
 C   -1.472700       2.469600     -2.9999999E-02
 C   -2.920000      0.9541000      0.1489000    
 C   -1.671100      -1.154800     -0.3807000    
 C   -3.981900      -1.054700      0.1818000    
 H    3.242900       1.909500     -0.4079000    
 H    2.424400     -0.7073000      -1.292600    
 H    4.804700      -1.774800     -0.3701000    
 H    4.031000       1.510400       2.036800    
 H    1.412500       1.783900       1.130600    
 H    5.059700     -0.8198000       2.064100    
 H   0.9630000       2.153100      -1.182200    
 H   0.8233000      0.4303000      -1.440600    
 H    4.982500      0.5052000      -1.411100    
 H    3.486400      -2.864700       1.149900    
 H  -0.9560000       3.439500     -4.5499999E-02
 H   -5.202000      -2.747800      0.2870000    
 H   -6.009800      -1.254900      0.6440000    


%chk=000001063-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001063

0 1
O 4.904192 0.101010 -1.679745
O 3.481635 -1.877999 1.097366
O -1.670747 -1.862287 -1.766518
N 1.610150 0.531024 0.127999
N -2.230093 2.049356 1.025532
N -4.135972 0.539256 0.684178
N -3.764083 -1.498370 -0.758668
N -5.817736 -1.003198 0.247641
C 2.994819 0.877455 -0.241429
C 3.861695 -0.338053 -0.745718
C 4.478196 -0.914017 0.555886
C 3.760509 1.308383 1.012637
C 4.585850 0.317950 1.452111
C 0.590839 0.413464 -0.928736
C -0.740171 0.767382 -0.329554
C -1.942517 0.091893 -0.369072
C -0.986681 1.964646 0.552773
C -2.880667 0.871722 0.475606
C -2.416214 -1.151668 -1.020570
C -4.507122 -0.694853 0.008203
H 2.967924 1.659606 -1.022939
H 3.277253 -1.089798 -1.294629
H 5.439216 -1.424643 0.355775
H 3.581309 2.267118 1.507738
H 1.571238 -0.216865 0.832554
H 5.199813 0.348961 2.358047
H 0.839305 1.126149 -1.741545
H 0.530100 -0.592497 -1.395280
H 5.467977 0.781095 -1.226161
H 3.829901 -2.282451 1.932308
H -0.233874 2.719506 0.789405
H -6.211674 -1.847006 -0.164741
H -6.371867 -0.379672 0.832044


