%chk=000290941.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290941

0 1
O -3.400862 -0.964684 -0.413077
N 2.351373 0.521600 0.211322
N 3.675810 0.053108 0.349918
C 0.347251 -2.587014 0.294810
C -0.973329 -2.095801 -0.302588
C 1.527532 -1.802910 -0.284400
C -1.102590 -0.603644 -0.219715
C 0.003563 0.249015 -0.096456
C 1.384149 -0.318468 -0.034677
C -2.396020 -0.020966 -0.283086
C -0.193774 1.645626 -0.035483
C -2.595948 1.357710 -0.223150
C -1.472831 2.186843 -0.097324
C 4.427440 1.094705 1.128560
C 4.330505 -0.161853 -0.985372
C -4.767877 -0.491519 -0.427563
H 0.328031 -2.471015 1.397594
H 0.476942 -3.668039 0.101688
H -1.831954 -2.579734 0.212883
H -1.059553 -2.404850 -1.366341
H 1.608929 -1.979964 -1.376167
H 2.474984 -2.176174 0.162761
H 0.672364 2.303571 0.067329
H -3.587226 1.793913 -0.271221
H -1.609639 3.266474 -0.047754
H 4.511442 2.070448 0.628240
H 5.434139 0.705736 1.339468
H 3.916654 1.257443 2.093235
H 3.777395 -0.920746 -1.557952
H 5.345625 -0.551482 -0.811147
H 4.404543 0.744973 -1.604621
H -4.938699 0.150520 -1.296368
H -5.005351 0.019016 0.510102
H -5.328915 -1.430638 -0.516848


%chk=000290941-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290941

0 1
O -3.451028 -0.984727 -0.522988
N 2.345909 0.580771 0.339554
N 3.702204 0.128672 0.347695
C 0.379461 -2.583626 0.313610
C -0.927726 -2.114188 -0.351704
C 1.584249 -1.769053 -0.207973
C -1.111094 -0.610397 -0.217710
C -0.005006 0.262411 -0.002713
C 1.383378 -0.279998 0.031577
C -2.418411 -0.049410 -0.292736
C -0.228709 1.664213 0.140638
C -2.640486 1.337216 -0.141049
C -1.528503 2.187151 0.080054
C 4.541004 1.169578 0.984415
C 4.261999 -0.309117 -0.959073
C -4.821867 -0.478224 -0.577793
H 0.302742 -2.458930 1.411202
H 0.544665 -3.659640 0.115960
H -1.802168 -2.630277 0.081690
H -0.920265 -2.392089 -1.427315
H 1.710448 -1.977841 -1.292025
H 2.519860 -2.077447 0.297840
H 0.639360 2.310436 0.292389
H -3.647610 1.760207 -0.196919
H -1.690727 3.265007 0.193155
H 4.644071 2.079739 0.351561
H 5.543948 0.751231 1.180872
H 4.081751 1.460032 1.940753
H 3.727714 -1.185418 -1.353126
H 5.318578 -0.590363 -0.809138
H 4.214893 0.505030 -1.718151
H -4.955864 0.237219 -1.412881
H -5.112309 0.008440 0.374061
H -5.450356 -1.365411 -0.747132


