%chk=000269037.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269037

0 1
O -0.778423 3.257373 0.006333
O 4.235078 0.510285 0.007613
O 2.663732 1.985428 -0.021667
N 0.209946 2.297223 0.004320
N 3.053817 0.838027 -0.005654
C -0.139314 -1.300334 0.000035
C 0.686900 -0.119455 -0.000799
C -1.554577 -0.897254 -0.000313
C -1.609010 0.530555 -0.000211
C -0.221276 1.070544 0.000830
C 2.068821 -0.275576 -0.001812
C 0.406533 -2.571238 0.001085
C -2.717673 -1.648673 -0.000730
C -2.822435 1.195806 -0.000517
C 2.622039 -1.583619 0.000074
C 1.808871 -2.705691 0.001497
C -3.950949 -0.966750 -0.001128
C -4.002852 0.425647 -0.001043
H -0.231236 -3.455270 0.001778
H -2.690285 -2.735384 -0.000794
H -2.866480 2.285885 -0.000360
H 3.715700 -1.689740 0.000198
H 2.253735 -3.701984 0.002806
H -4.875804 -1.543696 -0.001506
H -4.967148 0.933485 -0.001360
H -0.237111 4.125703 0.008027


%chk=000269037-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269037

0 1
O -0.758789 3.276431 0.214542
O 4.046460 0.832225 0.655922
O 2.834780 1.714007 -1.065440
N 0.287166 2.277166 0.135772
N 3.035091 0.836155 -0.149376
C -0.141411 -1.306042 -0.020728
C 0.683046 -0.131403 -0.033961
C -1.556310 -0.883379 -0.019866
C -1.608698 0.547414 -0.004039
C -0.215887 1.057649 0.017821
C 2.081799 -0.299699 -0.040176
C 0.421980 -2.595742 0.001560
C -2.738091 -1.645915 -0.031053
C -2.848256 1.221187 0.003193
C 2.660733 -1.590008 0.017556
C 1.830580 -2.731097 0.031090
C -3.982526 -0.968117 -0.028592
C -4.035320 0.447367 -0.012360
H -0.216890 -3.484665 0.007018
H -2.706998 -2.740806 -0.041805
H -2.885624 2.311223 0.018623
H 3.750039 -1.683049 0.040842
H 2.286224 -3.725756 0.060796
H -4.914339 -1.544041 -0.038836
H -5.007988 0.951000 -0.010783
H -0.240172 4.119190 0.288985


