%chk=000044713.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044713

0 1
 O    2.671300      0.9689000      -1.472300    
 O   -2.456200      -2.661300     -0.2519000    
 N    3.677500      -1.124300      0.2330000    
 C    1.783200      0.2146000     -0.6400000    
 C   0.6138000       1.076500     -0.2768000    
 C    2.538700     -0.2874000      0.6037000    
 C  -0.6761000      0.5485000     -0.1051000    
 C   -1.739500       1.417300      0.2381000    
 C   0.8522000       2.441200     -0.1123000    
 C  -0.9340000     -0.8226000     -0.2664000    
 C   -1.481400       2.788500      0.3993000    
 C  -0.1934000       3.295600      0.2250000    
 C   -3.029400      0.8890000      0.4101000    
 C   -2.221900      -1.329900     -9.2000000E-02
 C    3.227200      -2.305900     -0.5026000    
 C    4.431200      -1.520500       1.422500    
 C   -3.267500     -0.4758000      0.2458000    
 C   -3.795700      -3.112500     -5.8200002E-02
 H    1.443600     -0.5953000      -1.286200    
 H    1.854400     -0.8232000       1.275200    
 H    2.915400      0.5844000       1.155500    
 H    1.845400       2.868400     -0.2218000    
 H  -0.1561000      -1.540300     -0.5081000    
 H   -2.283400       3.474600      0.6639000    
 H  -6.8000001E-03   4.357400      0.3571000    
 H   -3.861000       1.539200      0.6741000    
 H    2.894100      -2.059100      -1.514800    
 H    2.428000      -2.844900      1.9099999E-02
 H    4.060000      -3.005700     -0.6449000    
 H    4.797100     -0.6381000       1.959400    
 H    5.315900      -2.103100       1.142300    
 H    3.827900      -2.119900       2.114000    
 H    3.440100      0.4056000      -1.665200    
 H   -4.290700     -0.8026000      0.3963000    
 H   -3.799400      -4.194700     -0.2248000    
 H   -4.478700      -2.673800     -0.7936000    
 H   -4.131600      -2.946800      0.9712000    


%chk=000044713-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044713

0 1
O 2.899521 0.917253 -1.234905
O -2.565267 -2.632914 -0.231547
N 3.625535 -1.186350 0.229142
C 1.764559 0.163876 -0.707269
C 0.616044 1.099211 -0.351744
C 2.288400 -0.614695 0.547273
C -0.719060 0.585776 -0.129467
C -1.768228 1.516077 0.253728
C 0.861692 2.469330 -0.218788
C -1.056910 -0.797219 -0.275228
C -1.467475 2.910986 0.392776
C -0.175740 3.379635 0.154699
C -3.088913 1.014069 0.479752
C -2.362569 -1.251642 -0.050165
C 3.549457 -2.422475 -0.585313
C 4.498454 -1.344742 1.413913
C -3.397015 -0.340318 0.337021
C -3.914881 -3.159955 -0.019367
H 1.422410 -0.564056 -1.476451
H 1.554728 -1.382792 0.878105
H 2.417255 0.114293 1.367239
H 1.873705 2.827870 -0.427289
H -0.310693 -1.536568 -0.579587
H -2.269761 3.600627 0.682103
H 0.052122 4.447247 0.247376
H -3.875487 1.720896 0.770321
H 2.964935 -2.234415 -1.501882
H 3.075601 -3.268855 -0.034090
H 4.565954 -2.728492 -0.888928
H 4.596104 -0.376922 1.935278
H 5.505142 -1.664941 1.090550
H 4.114123 -2.098178 2.141849
H 3.689421 0.356318 -0.939730
H -4.417933 -0.690197 0.515873
H -3.834433 -4.238815 -0.219328
H -4.642652 -2.706439 -0.720202
H -4.253942 -3.000485 1.022883


