%chk=000057563.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057563

0 1
 O   0.7256000     -0.6588000      0.6273000    
 O  -0.5126000      -1.395800      -1.174400    
 N   -3.982400      0.2380000      0.6791000    
 C    1.904000      -1.191100      3.7900001E-02
 C   -5.248700      8.1799999E-02 -2.2100000E-02
 C   -4.530800       1.399600     -6.3999998E-03
 C    3.114100      -1.018800      0.9589000    
 C    2.123400     -0.6001000      -1.353600    
 C    3.419600      0.4058000       1.412400    
 C    1.872700      0.8977000      -1.517600    
 C    3.649500       1.408000      0.2832000    
 C    2.356200       1.825400     -0.4071000    
 C   -2.892100     -0.3456000     -9.2299998E-02
 C   -1.575100     -0.2133000      0.6668000    
 C  -0.4232000     -0.8328000     -9.2100002E-02
 H    1.765000      -2.275600     -7.4400000E-02
 H   -6.122400     -2.6000001E-02  0.6068000    
 H   -5.267500     -0.4829000     -0.9452000    
 H   -4.076400       1.752200     -0.9228000    
 H   -4.921300       2.178600      0.6361000    
 H    4.003700      -1.445200      0.4789000    
 H    2.938000      -1.611500       1.866200    
 H    1.535900      -1.130000      -2.111500    
 H    3.159900     -0.8096000      -1.653400    
 H    4.327000      0.3712000       2.029000    
 H    2.620500      0.7640000       2.073100    
 H   0.8037000       1.082800      -1.679000    
 H    2.356400       1.205400      -2.454500    
 H    4.383000       1.030900     -0.4383000    
 H    4.090600       2.307200      0.7322000    
 H    1.560900       1.949100      0.3383000    
 H    2.499400       2.820800     -0.8473000    
 H   -2.773300      7.5099997E-02  -1.100800    
 H   -3.093500      -1.416200     -0.2381000    
 H   -1.649300     -0.7143000       1.639200    
 H   -1.343200      0.8463000      0.8268000    


%chk=000057563-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000057563

0 1
O 0.684648 -0.529612 0.463669
O -0.570832 -1.926429 -0.922822
N -4.136379 -0.027625 0.667317
C 1.958866 -1.145821 -0.057895
C -5.397803 0.274548 -0.099734
C -4.487402 1.407934 0.351263
C 3.026611 -0.947518 1.031678
C 2.320315 -0.579050 -1.450103
C 3.351139 0.505252 1.450689
C 2.078013 0.934730 -1.686822
C 3.716207 1.483015 0.303605
C 2.490629 1.906908 -0.546411
C -3.020163 -0.609331 -0.128003
C -1.698426 -0.347983 0.612725
C -0.512066 -1.026536 -0.049801
H 1.756299 -2.229110 -0.170021
H -6.331798 0.072896 0.433489
H -5.418251 0.047543 -1.175132
H -3.907536 1.923029 -0.428444
H -4.760410 2.026294 1.211873
H 3.948211 -1.437253 0.654901
H 2.714386 -1.513783 1.931168
H 1.755175 -1.141343 -2.216254
H 3.391544 -0.812654 -1.611313
H 4.188712 0.462033 2.175810
H 2.482893 0.923842 1.996184
H 1.005035 1.096573 -1.908327
H 2.622554 1.202626 -2.614475
H 4.507036 1.045645 -0.340786
H 4.158141 2.391142 0.759960
H 1.635290 2.036555 0.144869
H 2.680857 2.901214 -0.997454
H -2.963542 -0.201385 -1.166494
H -3.188768 -1.697174 -0.211566
H -1.787548 -0.731129 1.647961
H -1.494337 0.734258 0.705995


