%chk=000064038.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064038

0 1
 O   0.1407000       2.001700       1.070100    
 N  -0.3377000     -0.2009000      0.4358000    
 N   -4.000100      0.4888000      0.1189000    
 N    1.379700      -1.563500     -0.4852000    
 C   -1.736600     -8.4600002E-02  0.8453000    
 C   0.1536000      -1.389000     -0.1017000    
 C   -2.607300      0.4074000     -0.3016000    
 C   0.4891000      0.9206000      0.6038000    
 C    1.891200      0.7401000      0.1710000    
 C  -0.7997000      -2.551000     -0.2501000    
 C    2.276800     -0.4955000     -0.3550000    
 C   -4.844200      0.9687000     -0.9666000    
 C    2.811900       1.787700      0.2874000    
 C  -0.7800000      -3.393400       1.001100    
 C    3.603300     -0.6710000     -0.7653000    
 C    4.129900       1.598200     -0.1258000    
 C    4.525900      0.3702000     -0.6513000    
 C   -6.296400       1.065600     -0.5311000    
 H   -2.113600      -1.027800       1.245900    
 H   -1.797400      0.6326000       1.674200    
 H   -2.255700       1.397900     -0.6171000    
 H   -2.510300     -0.2539000      -1.170100    
 H   -1.816800      -2.243400     -0.4929000    
 H  -0.4612000      -3.164500      -1.094500    
 H   -4.322600     -0.4282000      0.4266000    
 H   -4.512300       1.961600      -1.292100    
 H   -4.779000      0.2943000      -1.828700    
 H    2.523000       2.752500      0.6947000    
 H   -1.481600      -4.228400      0.9088000    
 H   -1.045400      -2.824200       1.896600    
 H   0.2175000      -3.813400       1.172100    
 H    3.926900      -1.623700      -1.177800    
 H    4.848400       2.407900     -3.7500001E-02
 H    5.552700      0.2227000     -0.9730000    
 H   -6.685700      8.7200001E-02 -0.2298000    
 H   -6.410900       1.754500      0.3125000    
 H   -6.914900       1.435400      -1.355200    


%chk=000064038-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064038

0 1
O -0.057576 1.990683 0.913479
N -0.334675 -0.284772 0.389663
N -4.040472 0.396742 -0.059672
N 1.472612 -1.635824 -0.460341
C -1.770646 -0.133645 0.749575
C 0.202051 -1.492607 -0.099700
C -2.621578 0.346152 -0.450554
C 0.463027 0.906961 0.508749
C 1.874506 0.739887 0.128484
C -0.683051 -2.723896 -0.181560
C 2.332111 -0.530094 -0.347276
C -4.919723 1.198701 -0.940858
C 2.772601 1.835493 0.223635
C -0.714729 -3.514109 1.155199
C 3.697017 -0.679379 -0.722496
C 4.116969 1.672840 -0.147187
C 4.576857 0.410184 -0.621685
C -6.367706 1.188153 -0.421834
H -2.150937 -1.089407 1.145142
H -1.837212 0.625764 1.544131
H -2.297725 1.368493 -0.716916
H -2.419210 -0.303275 -1.339999
H -1.708203 -2.465441 -0.501453
H -0.241524 -3.363524 -0.963172
H -4.431805 -0.541170 0.107971
H -4.534623 2.236760 -0.944872
H -4.902591 0.846520 -2.002994
H 2.385774 2.792353 0.589195
H -1.319321 -4.431691 1.043080
H -1.145615 -2.919983 1.981853
H 0.309137 -3.807134 1.444704
H 4.027208 -1.657633 -1.084710
H 4.813607 2.514626 -0.073737
H 5.626814 0.289713 -0.910983
H -6.785902 0.162747 -0.420411
H -6.407493 1.576574 0.610709
H -7.016775 1.813436 -1.060760


