%chk=000003608.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003608

0 1
 O   0.4371000      -2.076100       1.037700    
 O   2.0700000E-02   2.631100      0.2825000    
 O    3.685400      0.3747000      -1.220600    
 N    2.080200     -0.8819000     -8.4200002E-02
 N    1.832800       1.440300     -0.4392000    
 C   8.9500003E-02  0.2871000      0.8360000    
 C   -1.260500      6.3299999E-02  0.2140000    
 C   -1.282300     -0.1044000      -1.285300    
 C   -2.683500       0.000000      -1.893200    
 C   -3.704700     -0.7660000      -1.060700    
 C   -3.745400     -0.2433000      0.3754000    
 C   -2.383800      1.3800000E-02  0.9509000    
 C   0.8681000     -0.9992000      0.6114000    
 C  -2.5500000E-02  0.5153000       2.349900    
 C   0.6212000       1.557000      0.2113000    
 C    2.610000      0.3034000     -0.6192000    
 C    2.840500      -2.115000     -0.2666000    
 H  -0.6551000      0.6394000      -1.787300    
 H  -0.8670000      -1.088800      -1.535200    
 H   -2.980100       1.055100      -1.952200    
 H   -2.670000     -0.3845000      -2.919400    
 H   -3.444200      -1.832100      -1.056900    
 H   -4.699500     -0.6832000      -1.512600    
 H   -4.275100     -0.9695000       1.002600    
 H   -4.318000      0.6911000      0.4132000    
 H   -2.393700      0.1502000       2.025700    
 H  -0.4187000     -0.3550000       2.889500    
 H   0.9736000      0.6977000       2.768900    
 H  -0.6224000       1.399000       2.607000    
 H    2.202800       2.296400     -0.8435000    
 H    3.786500      -1.950600     -0.7874000    
 H    2.230800      -2.820200     -0.8408000    
 H    3.041300      -2.555300      0.7155000    


%chk=000003608-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003608

0 1
O 0.717097 -2.048522 1.310221
O 0.206856 2.748744 0.746084
O 3.412693 0.392386 -1.612203
N 2.033805 -0.855211 -0.169464
N 1.740696 1.497762 -0.440202
C 0.077985 0.298343 1.006183
C -1.275287 0.053800 0.272013
C -1.187322 -0.298776 -1.211834
C -2.543199 -0.134885 -1.937358
C -3.681246 -0.786026 -1.121877
C -3.811545 -0.101624 0.257942
C -2.467419 0.150301 0.917002
C 0.958579 -0.949097 0.747883
C -0.064531 0.460446 2.543730
C 0.661867 1.614880 0.452816
C 2.454611 0.338588 -0.798711
C 2.791738 -2.098215 -0.457747
H -0.427618 0.332453 -1.715505
H -0.835199 -1.347071 -1.320690
H -2.760811 0.943680 -2.068711
H -2.481568 -0.580412 -2.948078
H -3.458649 -1.862287 -0.980902
H -4.639908 -0.721802 -1.669904
H -4.438324 -0.716516 0.934321
H -4.345521 0.867258 0.153325
H -2.496289 0.425720 1.977618
H -0.529802 -0.440622 2.972089
H 0.928154 0.592860 3.009664
H -0.667277 1.353210 2.772359
H 2.095009 2.366441 -0.855187
H 3.545819 -1.865653 -1.222314
H 2.100403 -2.876893 -0.817094
H 3.277203 -2.463460 0.461729


