%chk=000049823.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049823

0 1
 O   0.7520000      0.7589000      -1.787700    
 N    2.767600      0.7817000      8.8900000E-02
 C   -1.196400      -1.169000     -6.4000003E-02
 C   -1.989600       1.053300     -8.2999997E-02
 C  -0.9273000      0.1782000     -0.2508000    
 C   -2.479100      -1.623700      0.3019000    
 C   -3.272400      0.5986000      0.2829000    
 C  -0.2341000      -2.313100     -0.1465000    
 C   -1.968900       2.546700     -0.1886000    
 C   -2.477800      -3.108600      0.4946000    
 C   -4.212500       1.751300      0.4526000    
 C   -1.195400      -3.506200     -0.2506000    
 C   -3.467800       2.859700     -0.3060000    
 C   -3.535600     -0.7464000      0.4930000    
 C    1.391900       1.020100      0.5252000    
 C    2.960000     -0.6344000     -0.2541000    
 C    3.717100       1.210900       1.125300    
 C   0.4042000      0.6506000     -0.5931000    
 C    4.380500     -0.8916000     -0.7595000    
 C    5.162200       1.013900      0.6652000    
 C    5.421500     -0.4312000      0.2543000    
 H   0.4081000      -2.264600      -1.028800    
 H   0.3691000      -2.369100      0.7650000    
 H   -1.544700       2.983000      0.7217000    
 H   -1.422800       2.903200      -1.066400    
 H   -2.407000      -3.349600       1.560200    
 H   -3.358000      -3.588600      5.7999998E-02
 H   -5.195300       1.558600      1.3700000E-02
 H   -4.316100       1.999200       1.514000    
 H  -0.7566000      -4.430800      0.1374000    
 H   -1.435700      -3.682600      -1.308500    
 H   -3.759200       2.827300      -1.365300    
 H   -3.716100       3.859000      6.5200001E-02
 H   -4.515800      -1.093600      0.7963000    
 H    1.150500      0.4433000       1.426400    
 H    1.236300       2.083700      0.7407000    
 H    2.294200     -0.9590000      -1.057000    
 H    2.760800      -1.275500      0.6148000    
 H    3.550400      0.6598000       2.060300    
 H    3.570900       2.275600       1.344300    
 H    4.534900     -0.3625000      -1.708600    
 H    4.513300      -1.960100     -0.9640000    
 H    5.849100       1.298000       1.470400    
 H    5.371400       1.678100     -0.1831000    
 H    5.380300      -1.076700       1.140200    
 H    6.427400     -0.5276000     -0.1686000    


%chk=000049823-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049823

0 1
O 0.742690 1.055680 -1.426317
N 2.860858 0.305119 0.298336
C -1.453567 -1.308164 0.297128
C -1.969215 1.006080 -0.285504
C -0.996867 -0.030790 -0.146604
C -2.822040 -1.516646 0.620925
C -3.326679 0.786820 0.068085
C -0.689614 -2.624914 0.470418
C -1.776855 2.453906 -0.733138
C -3.064433 -2.955411 1.057669
C -4.141274 2.062018 -0.104606
C -1.816212 -3.702022 0.504005
C -3.230842 2.942835 -1.012536
C -3.763420 -0.471666 0.529714
C 1.535266 -0.308574 0.446139
C 3.544927 -0.087995 -0.962928
C 3.720774 0.067983 1.487237
C 0.444387 0.282752 -0.472514
C 4.863824 0.688981 -1.141825
C 5.040245 0.859318 1.377270
C 5.791670 0.492236 0.077881
H 0.039865 -2.818070 -0.336604
H -0.125934 -2.627251 1.425791
H -1.309415 3.043391 0.083038
H -1.114203 2.541277 -1.606586
H -3.103805 -3.022165 2.164566
H -4.015063 -3.368777 0.675337
H -5.139695 1.881449 -0.542882
H -4.303688 2.547041 0.880119
H -1.539637 -4.586069 1.104662
H -2.023387 -4.044784 -0.526880
H -3.479264 2.752951 -2.073453
H -3.358749 4.023412 -0.826590
H -4.814324 -0.639846 0.794512
H 1.562227 -1.416614 0.276257
H 1.186853 -0.174251 1.489266
H 2.863150 0.125836 -1.800936
H 3.765054 -1.191143 -0.959499
H 3.960939 -1.023867 1.606436
H 3.164839 0.384478 2.390492
H 4.625219 1.763147 -1.259735
H 5.361838 0.351644 -2.071275
H 5.666953 0.652028 2.266360
H 4.803516 1.940679 1.374502
H 6.115178 -0.568631 0.127873
H 6.707411 1.104786 -0.025307


