%chk=000217952.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217952

0 1
O 2.053587 -0.374009 -0.225890
O 2.760289 1.740419 0.289352
N -3.530536 0.003641 0.065174
C -1.338229 1.138922 0.112419
C -1.445348 -1.310969 -0.061071
C -2.098942 -0.056527 0.076545
C 0.059243 1.081485 0.025076
C -0.052189 -1.359748 -0.144551
C 0.672162 -0.161602 -0.100096
C -2.002493 2.472469 0.236628
C -2.227007 -2.583818 -0.123781
C 3.015211 0.606439 -0.019896
C 4.340306 -0.033024 -0.253690
H 0.652937 1.998248 0.059558
H 0.476589 -2.304297 -0.249189
H -2.560996 2.565243 1.177490
H -1.279354 3.300620 0.216487
H -2.702421 2.645576 -0.595575
H -1.585591 -3.460483 -0.287933
H -2.783178 -2.766943 0.805315
H -2.950134 -2.562341 -0.954536
H -3.906634 0.825355 0.524074
H -3.974816 -0.822762 0.448146
H 4.254326 -1.096580 -0.531853
H 4.966037 0.028028 0.650944
H 4.882482 0.482257 -1.062646


%chk=000217952-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217952

0 1
O 2.107732 -0.406472 -0.175091
O 2.867640 1.816284 0.000158
N -3.519123 0.000063 0.193179
C -1.349065 1.139510 0.163364
C -1.472597 -1.328395 -0.046046
C -2.122882 -0.061384 0.104202
C 0.060009 1.075450 0.075449
C -0.067495 -1.365763 -0.132621
C 0.691976 -0.179004 -0.071748
C -2.042919 2.480528 0.320435
C -2.290043 -2.604979 -0.109811
C 3.091115 0.591286 -0.131194
C 4.464070 -0.036361 -0.265059
H 0.653330 1.989437 0.122258
H 0.455392 -2.320732 -0.248382
H -2.633588 2.532947 1.258256
H -1.309407 3.302447 0.349638
H -2.736313 2.687521 -0.520593
H -1.638743 -3.486429 -0.228673
H -2.886867 -2.759385 0.812489
H -2.996611 -2.600450 -0.965001
H -3.993494 0.889751 0.305784
H -4.081536 -0.843270 0.153795
H 4.399131 -1.127354 -0.380540
H 5.064373 0.208566 0.628758
H 4.981216 0.401789 -1.136508


