%chk=000042923.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042923

0 1
 O  -0.5906000       1.539300      0.7197000    
 O   -2.781400     -0.1176000       2.240900    
 N   -3.159600      0.4914000     -1.2700000E-02
 N   -3.530100     -0.1269000      -1.181100    
 C   -2.877500       1.899000      7.2300002E-02
 C   -3.451900      -1.714200      0.5420000    
 C   -1.421300       2.195500     -0.2367000    
 C   -3.080800     -0.3669000       1.085800    
 C   -3.703000      -1.379500     -0.8957000    
 C   0.6482000       1.156800      0.3053000    
 C    2.536000     -0.3701000      0.4571000    
 C    3.205500      0.3688000     -0.5471000    
 C    1.257600      3.7099998E-02  0.8722000    
 C   -4.111200      -2.413800      -1.884700    
 C    1.306700       1.883500     -0.6821000    
 C    2.577100       1.493400      -1.106500    
 C    3.164400      -1.494600       1.016400    
 C    4.484000     -3.8300000E-02 -0.9621000    
 C    4.434800      -1.884800      0.5921000    
 C    5.093300      -1.158100     -0.3954000    
 H   -3.109300       2.232200       1.090400    
 H   -3.536700       2.429600     -0.6227000    
 H   -4.360600      -2.090100       1.015200    
 H   -2.620400      -2.415000      0.6351000    
 H   -1.246300       3.275700     -0.1785000    
 H   -1.216000       1.848200      -1.257900    
 H   0.7282000     -0.5205000       1.643000    
 H   -4.246100      -1.965600      -2.872300    
 H   -5.051200      -2.870200      -1.564300    
 H   -3.338900      -3.185200      -1.941300    
 H   0.8806000       2.777400      -1.128000    
 H    3.076400       2.079600      -1.875200    
 H    2.668300      -2.077700       1.789600    
 H    5.017300      0.5148000      -1.732500    
 H    4.909700      -2.756400       1.032800    
 H    6.082300      -1.462400     -0.7254000    


%chk=000042923-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042923

0 1
O -0.517335 0.921875 0.521623
O -3.719308 -0.243074 2.495541
N -3.422902 0.436075 0.238608
N -3.649780 -0.064154 -1.078915
C -2.784385 1.736340 0.409818
C -4.351774 -1.677026 0.499763
C -1.402034 1.808051 -0.245520
C -3.806272 -0.450865 1.257621
C -4.183011 -1.271181 -0.952501
C 0.811130 0.769097 0.087649
C 2.971955 -0.324344 0.496401
C 3.533112 0.354538 -0.657626
C 1.606106 -0.098311 0.846114
C -4.555852 -2.095584 -2.147064
C 1.356420 1.447291 -1.052977
C 2.690415 1.235249 -1.407836
C 3.815605 -1.207740 1.253685
C 4.905201 0.124721 -1.007022
C 5.147395 -1.410684 0.888446
C 5.699692 -0.740052 -0.251814
H -2.702723 1.902621 1.498060
H -3.422423 2.528427 -0.027315
H -5.403776 -1.870476 0.777490
H -3.776248 -2.582783 0.764162
H -1.028255 2.852010 -0.208335
H -1.465681 1.475908 -1.300343
H 1.163522 -0.599240 1.713381
H -4.319416 -1.550128 -3.075081
H -5.635640 -2.339024 -2.144860
H -4.008901 -3.057818 -2.153845
H 0.739120 2.128004 -1.646342
H 3.107699 1.753426 -2.279616
H 3.396007 -1.721573 2.126750
H 5.322909 0.641342 -1.879913
H 5.780138 -2.086486 1.474719
H 6.746792 -0.910032 -0.525203


