%chk=000046216.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046216

0 1
 O    1.143600      -2.600900     -0.5438000    
 N   -1.605200     -9.8300003E-02 -0.4674000    
 C  -0.9082000      -1.347500     -0.1364000    
 C   0.4746000      -1.368700     -0.8260000    
 C   -2.932500     -8.4200002E-02  0.1225000    
 C  -0.8063000      -1.441800       1.387200    
 C    1.397200     -0.2572000     -0.3731000    
 C   -3.697800       1.193500     -0.2006000    
 C    1.381400      0.9506000      -1.048500    
 C    2.235500     -0.4732000      0.7066000    
 C   -5.081800       1.226100      0.4320000    
 C    2.231200       1.975000     -0.6313000    
 C    3.085200      0.5513000       1.123900    
 C    3.083000       1.775300      0.4549000    
 H   -1.476900      -2.213800     -0.4994000    
 H   0.3573000      -1.323600      -1.916400    
 H   -1.677800     -5.4000001E-03  -1.480300    
 H   -2.890800     -0.1317000       1.214800    
 H   -3.513800     -0.9460000     -0.2288000    
 H  -8.7300003E-02  -2.213300       1.684400    
 H  -0.4920000     -0.5007000       1.852800    
 H   -1.754600      -1.748900       1.841700    
 H   -3.129800       2.064800      0.1484000    
 H   -3.804200       1.297000      -1.287400    
 H   0.7266000       1.115600      -1.899100    
 H    2.254900      -1.410800       1.253400    
 H   0.5675000      -3.322200     -0.8496000    
 H   -5.015300       1.168400       1.523100    
 H   -5.596300       2.156100      0.1713000    
 H   -5.692300      0.3886000      7.9800002E-02
 H    2.230400       2.927700      -1.152800    
 H    3.747300      0.3970000       1.971000    
 H    3.744500       2.573000      0.7801000    


%chk=000046216-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046216

0 1
O 1.040672 -2.637279 -0.594765
N -1.756420 -0.155662 -0.421018
C -0.919739 -1.273826 0.079141
C 0.428969 -1.304241 -0.721364
C -3.112663 -0.040631 0.164912
C -0.690439 -1.196282 1.599097
C 1.471304 -0.279525 -0.279740
C -3.920748 1.067853 -0.538560
C 1.193682 1.108151 -0.385788
C 2.726576 -0.694204 0.228314
C -5.346147 1.212469 0.035832
C 2.156303 2.062048 0.012469
C 3.689234 0.262638 0.624785
C 3.409972 1.643984 0.517918
H -1.418159 -2.263162 -0.135675
H 0.175120 -1.121162 -1.793436
H -1.818296 -0.186369 -1.451389
H -3.015522 0.210109 1.237409
H -3.682804 -1.004360 0.108428
H 0.075572 -1.935556 1.893297
H -0.334812 -0.191369 1.882824
H -1.613897 -1.420201 2.161585
H -3.368791 2.022084 -0.441033
H -3.981696 0.845496 -1.624984
H 0.211457 1.429942 -0.747154
H 2.937829 -1.764298 0.297721
H 0.358581 -3.318211 -0.822746
H -5.316745 1.458653 1.113834
H -5.903717 2.016348 -0.477581
H -5.921393 0.274618 -0.080002
H 1.927732 3.130963 -0.071278
H 4.658103 -0.072216 1.013513
H 4.158181 2.385000 0.822434


