%chk=000039308.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039308

0 1
 O   -2.330300       2.433400     -0.2105000    
 O    1.413200      -2.782800      0.6611000    
 N   -3.802900      -1.334800     -0.2335000    
 C   0.7934000      0.5881000     -4.4500001E-02
 C   0.2947000     -0.6856000      0.2794000    
 C    2.235500      0.5220000     -0.1430000    
 C   -1.930700      0.1137000      0.2757000    
 C    2.655700     -0.7936000      0.1180000    
 C   -1.049000     -0.9537000      0.4450000    
 C    1.449100      -1.601900      0.3933000    
 C   -3.396300     -0.1246000      0.4450000    
 C  -8.5299999E-02   1.643700     -0.2117000    
 C   -1.454600       1.398700     -4.9199998E-02
 C    3.175600       1.494700     -0.4338000    
 C    3.979500      -1.183500      0.1015000    
 C    4.526300       1.125400     -0.4569000    
 C    4.923400     -0.1994000     -0.1922000    
 C   -3.521300      -1.253100      -1.672400    
 C   -5.230300      -1.605200     -2.0800000E-02
 C   -2.645700       3.198500      0.9495000    
 H   -1.383200      -1.950300      0.7105000    
 H   -3.591400     -0.2076000       1.522400    
 H   -3.992000      0.7222000      8.3600000E-02
 H   0.2706000       2.637900     -0.4626000    
 H    2.888300       2.520300     -0.6403000    
 H    4.280300      -2.204000      0.3059000    
 H    5.282300       1.873100     -0.6830000    
 H    5.979300     -0.4556000     -0.2176000    
 H   -2.452200      -1.204800      -1.900200    
 H   -4.014700     -0.3919000      -2.138500    
 H   -3.882600      -2.157400      -2.176900    
 H   -5.515500      -2.554600     -0.4873000    
 H   -5.866600     -0.8122000     -0.4301000    
 H   -5.445700      -1.704200       1.049000    
 H   -1.755700       3.721200       1.313900    
 H   -3.055200       2.562300       1.740300    
 H   -3.398900       3.942100      0.6750000    


%chk=000039308-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039308

0 1
O -2.228151 2.660350 -0.240439
O 1.389413 -2.876819 0.500393
N -3.860567 -1.296723 -0.277712
C 0.875390 0.652892 -0.049256
C 0.335383 -0.647274 0.194153
C 2.357702 0.545728 -0.118697
C -1.938226 0.238925 0.164156
C 2.718231 -0.820436 0.085882
C -1.046111 -0.859206 0.295088
C 1.465026 -1.633676 0.291822
C -3.446324 0.023162 0.251196
C 0.014021 1.750595 -0.178970
C -1.385516 1.533527 -0.056781
C 3.354446 1.512851 -0.334900
C 4.057228 -1.237537 0.077940
C 4.712951 1.095388 -0.343921
C 5.064383 -0.261430 -0.140529
C -3.750052 -1.381176 -1.749119
C -5.190845 -1.710514 0.208802
C -2.789851 3.231216 0.997689
H -1.463669 -1.860118 0.445709
H -3.759634 0.059392 1.315068
H -3.963211 0.869467 -0.265855
H 0.370193 2.766652 -0.376059
H 3.101989 2.566780 -0.495268
H 4.307185 -2.291737 0.236921
H 5.502924 1.836233 -0.511461
H 6.119387 -0.555439 -0.152885
H -2.722352 -1.132140 -2.063647
H -4.452164 -0.689542 -2.279414
H -3.966129 -2.413107 -2.077553
H -5.410928 -2.732041 -0.148957
H -6.021512 -1.042471 -0.134368
H -5.197420 -1.727705 1.313513
H -1.980210 3.573041 1.671264
H -3.426005 2.499878 1.532576
H -3.399873 4.089515 0.677715


