%chk=000022684.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022684

0 1
 O   0.6133000     -0.3641000       2.030300    
 N  -0.9043000       1.315100      8.9400001E-02
 C   -1.937900       1.644800     -0.9019000    
 C   0.1696000       2.318500      9.0999998E-02
 C   -2.554300       3.016200     -0.6213000    
 C  -0.3778000       3.711800      0.4039000    
 C   -1.486800       4.103000     -0.5663000    
 C  -0.3584000     -1.7899999E-02 -0.1647000    
 C   -1.449000      -1.066300     -8.3499998E-02
 C   0.7890000     -0.2717000      0.8161000    
 C    2.177700     -0.4212000      0.2925000    
 C   -1.364200      -2.190500     -0.8849000    
 C   -2.504300     -0.8746000      0.7899000    
 C   -2.368500      -3.155500     -0.8103000    
 C   -3.508600      -1.839600      0.8646000    
 C    2.354600     -0.9427000     -0.9690000    
 C    3.229300     -3.2299999E-02   1.090700    
 C   -3.440700      -2.980200      6.4499997E-02
 C    3.653200      -1.082800      -1.458600    
 C    4.528000     -0.1724000      0.6012000    
 C    4.739900     -0.6976000     -0.6735000    
 H   -2.771700      0.9384000     -0.9290000    
 H   -1.508100       1.651200      -1.913500    
 H   0.6927000       2.338400     -0.8743000    
 H   0.9154000       2.123400      0.8679000    
 H   -3.097900       2.986900      0.3316000    
 H   -3.286000       3.260100      -1.399900    
 H   0.4322000       4.448500      0.3537000    
 H  -0.7663000       3.732800       1.430200    
 H   -1.062500       4.250700      -1.567000    
 H   -1.934600       5.055400     -0.2621000    
 H   1.3200000E-02 -6.5000001E-03  -1.194300    
 H  -0.5386000      -2.339600      -1.572900    
 H   -2.574000     -1.5699999E-02   1.450800    
 H   -2.316000      -4.043400      -1.433600    
 H   -4.339900      -1.706900       1.550800    
 H    1.545800      -1.289800      -1.598700    
 H    3.079200      0.3839000       2.082200    
 H   -4.221700      -3.732500      0.1238000    
 H    3.819300      -1.499700      -2.447600    
 H    5.374200      0.1285000       1.211900    
 H    5.751100     -0.8082000      -1.054100    


%chk=000022684-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000022684

0 1
O 0.892313 0.776934 1.836420
N -0.958161 1.722279 -0.107141
C -2.134886 1.832342 -1.010393
C -0.114618 2.945495 -0.186327
C -3.006742 3.046854 -0.633149
C -0.920533 4.196086 0.216813
C -2.181215 4.352744 -0.663400
C -0.190410 0.477008 -0.346552
C -1.059728 -0.776550 -0.148789
C 0.985582 0.318646 0.662504
C 2.200481 -0.473572 0.256480
C -1.121647 -1.792501 -1.131394
C -1.789717 -0.928304 1.057822
C -1.909709 -2.947088 -0.918062
C -2.578789 -2.078401 1.269403
C 2.541272 -0.774742 -1.090299
C 3.060867 -0.922834 1.297435
C -2.640547 -3.092895 0.283243
C 3.712664 -1.505373 -1.386010
C 4.223827 -1.658867 1.003134
C 4.554676 -1.952801 -0.342302
H -2.728317 0.905307 -0.934609
H -1.807905 1.932775 -2.081264
H 0.285718 3.084480 -1.227280
H 0.743647 2.829837 0.494933
H -3.411018 2.887319 0.385104
H -3.865271 3.109354 -1.329606
H -0.271523 5.089386 0.135331
H -1.217056 4.092174 1.277968
H -1.876262 4.571059 -1.708423
H -2.792897 5.208566 -0.320061
H 0.217112 0.450641 -1.388614
H -0.560655 -1.680428 -2.067734
H -1.730304 -0.132502 1.808323
H -1.955282 -3.726688 -1.686891
H -3.142746 -2.188225 2.202655
H 1.911703 -0.426752 -1.915079
H 2.789220 -0.677317 2.329398
H -3.251946 -3.987044 0.449836
H 3.969957 -1.723259 -2.428352
H 4.873086 -2.004321 1.815030
H 5.461355 -2.522921 -0.574101


