%chk=000276103.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276103

0 1
O 5.444135 -0.861837 -1.176535
O 5.381973 1.389797 -0.988161
N -3.001509 -0.705625 0.759743
N -0.118957 -0.610409 1.819148
C -2.121012 0.501259 0.758746
C -2.931353 1.811957 0.761820
C -3.814292 1.861617 -0.491361
C -1.151498 0.441893 1.965001
C -4.572243 0.581100 -0.703995
C -4.181916 -0.613742 -0.058592
C -5.687337 0.562165 -1.552189
C -4.928887 -1.794335 -0.242775
C -6.417933 -0.611981 -1.744591
C 1.064607 -0.351105 1.100841
C -6.039411 -1.786686 -1.084856
C 1.555380 0.962860 0.910399
C 1.830360 -1.458348 0.650270
C 2.787505 1.158006 0.300623
C 3.059797 -1.246230 0.043662
C 3.550006 0.060365 -0.139526
C 4.846370 0.320928 -0.782490
C 6.759855 -0.779547 -1.807376
C 7.825131 -0.579159 -0.748868
H -1.524869 0.448174 -0.195375
H -2.257780 2.687950 0.783745
H -3.557422 1.882046 1.671212
H -3.189377 2.064617 -1.388069
H -4.517680 2.716110 -0.416264
H -1.700234 0.239497 2.913816
H -0.663963 1.434817 2.108128
H -3.228326 -1.025898 1.707562
H -0.523174 -1.541926 1.679597
H -5.991373 1.474602 -2.063626
H -4.626353 -2.712442 0.256629
H -7.281465 -0.613080 -2.405558
H -6.612206 -2.701146 -1.232340
H 0.977255 1.818258 1.251269
H 1.460571 -2.471475 0.785456
H 3.177901 2.170438 0.153969
H 3.659453 -2.094068 -0.302729
H 6.815285 -1.765961 -2.302003
H 6.743815 0.036216 -2.552360
H 8.832709 -0.666525 -1.170003
H 7.741933 0.418555 -0.291000
H 7.731529 -1.313902 0.060701


%chk=000276103-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000276103

0 1
O 5.585051 -1.150008 -0.958225
O 5.187166 1.065025 -1.595276
N -2.787616 -0.437587 0.383003
N -0.205753 -0.489191 1.737717
C -2.133304 0.827118 0.741595
C -3.207658 1.879405 1.094512
C -4.209892 2.046273 -0.070370
C -1.183740 0.587435 1.945695
C -4.772147 0.703211 -0.522654
C -4.015179 -0.489326 -0.297697
C -6.020761 0.605697 -1.174154
C -4.527332 -1.737833 -0.751681
C -6.531156 -0.632542 -1.626610
C 1.009264 -0.350238 1.063047
C -5.770034 -1.806188 -1.411852
C 1.376601 0.856704 0.392748
C 1.924808 -1.448977 1.038856
C 2.613488 0.951177 -0.264236
C 3.154251 -1.345617 0.374934
C 3.519774 -0.141224 -0.288098
C 4.806421 0.020548 -1.002181
C 6.915283 -1.078557 -1.628589
C 7.977536 -0.524041 -0.673926
H -1.534846 1.215010 -0.115894
H -2.717304 2.845320 1.320122
H -3.745625 1.549778 2.005077
H -3.697292 2.545144 -0.919081
H -5.034219 2.718724 0.232667
H -1.805399 0.313514 2.817677
H -0.664087 1.536074 2.189612
H -2.178227 -1.256297 0.333235
H -0.333202 -1.343811 2.279419
H -6.602140 1.523071 -1.335746
H -3.946020 -2.653220 -0.580514
H -7.499934 -0.681903 -2.134277
H -6.145366 -2.777082 -1.755468
H 0.699671 1.715689 0.386329
H 1.657769 -2.382661 1.550418
H 2.901826 1.875535 -0.776306
H 3.848003 -2.190697 0.360446
H 7.121342 -2.123257 -1.913437
H 6.822749 -0.447725 -2.530156
H 8.970965 -0.556053 -1.159428
H 7.755400 0.523871 -0.411964
H 8.025863 -1.122492 0.252408


