%chk=000279229.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279229

0 1
O 3.501860 1.323272 -0.682869
O -4.189164 -0.741247 -0.711812
N -2.823082 -0.070502 0.939778
C -0.492586 0.853469 0.451359
C 0.348755 2.038044 1.000564
C -1.108853 1.231368 -0.916868
C -1.631354 0.614648 1.485642
C 0.418917 -0.357982 0.282239
C 1.532654 2.380948 0.104677
C -2.075516 0.168446 -1.428348
C 1.771858 -0.173218 -0.067736
C 2.375647 1.176394 -0.253060
C -3.117313 -0.234406 -0.414360
C -0.060409 -1.666065 0.439017
C 2.613548 -1.282444 -0.253630
C 0.783839 -2.765392 0.256134
C 2.124531 -2.578496 -0.091449
H 0.717944 1.783387 2.015692
H -0.289507 2.934876 1.125017
H -0.305380 1.386677 -1.664525
H -1.633998 2.203443 -0.826853
H -1.238666 0.017860 2.341961
H -1.958359 1.596893 1.905124
H 2.179381 3.143485 0.591031
H 1.197484 2.866352 -0.837203
H -1.524384 -0.747332 -1.742141
H -2.591774 0.519979 -2.348247
H -3.533410 -0.341778 1.619782
H -1.102411 -1.849061 0.703257
H 3.659721 -1.112042 -0.530442
H 0.389975 -3.774603 0.383922
H 2.780754 -3.434872 -0.236153


%chk=000279229-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279229

0 1
O 3.614530 1.320169 -0.627837
O -4.237234 -0.827737 -0.741723
N -2.806455 -0.093758 0.922372
C -0.493437 0.875279 0.458610
C 0.353844 2.063523 1.004034
C -1.143787 1.264504 -0.911339
C -1.646030 0.635935 1.476337
C 0.426275 -0.351498 0.293442
C 1.564605 2.394679 0.112142
C -2.108757 0.184234 -1.437311
C 1.800853 -0.178125 -0.070136
C 2.420090 1.176452 -0.228182
C -3.143873 -0.273432 -0.412784
C -0.053164 -1.675628 0.462483
C 2.638532 -1.308472 -0.272162
C 0.788587 -2.792182 0.267360
C 2.140749 -2.612706 -0.110240
H 0.708252 1.810514 2.023648
H -0.290714 2.959229 1.095967
H -0.361111 1.451004 -1.668196
H -1.693768 2.217030 -0.768547
H -1.256908 0.077598 2.350094
H -1.984100 1.627326 1.846196
H 2.222127 3.146619 0.584122
H 1.233651 2.842823 -0.846217
H -1.545235 -0.713615 -1.757459
H -2.662750 0.538133 -2.323482
H -3.526330 -0.404553 1.582616
H -1.096633 -1.840470 0.749150
H 3.681084 -1.121989 -0.551502
H 0.386153 -3.801843 0.406521
H 2.791655 -3.478942 -0.268478


