%chk=000211751.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211751

0 1
O 4.366950 0.157017 0.065880
O 2.793411 -2.230163 0.608398
O 2.809231 2.553348 -0.647044
N -1.254585 0.212441 -0.263996
N -1.867752 -0.781250 1.865331
C 0.154312 0.168918 -0.118128
C 2.975027 0.154704 0.001751
C 2.231954 -1.026574 0.227357
C 2.273729 1.332611 -0.342055
C 0.835890 -1.027322 0.190742
C 0.868408 1.344333 -0.393041
C -3.582666 -0.111846 0.249158
C -2.133672 -0.206062 0.603001
C -4.108950 1.107393 -0.200718
C -4.404638 -1.243934 0.352601
C -5.465357 1.196215 -0.526756
C -5.758593 -1.146591 0.022478
C -6.289965 0.072536 -0.412854
C 4.858123 0.136122 1.438762
C 3.915922 -2.699058 -0.187912
C 4.250057 2.673045 -0.778673
H 0.297718 -1.957605 0.354699
H 0.349715 2.261224 -0.669255
H -3.455579 1.974918 -0.309835
H -3.985902 -2.197133 0.676325
H -5.876903 2.141778 -0.877093
H -6.399489 -2.023612 0.098799
H -7.346053 0.144435 -0.669415
H -0.927997 -0.731844 2.234395
H -2.590193 -0.769811 2.567457
H 5.942850 0.131113 1.298775
H 4.512639 -0.771871 1.943922
H 4.523595 1.030103 1.969936
H 4.674938 -1.918015 -0.314340
H 3.533581 -3.036411 -1.155890
H 4.288210 -3.536814 0.410574
H 4.349760 3.657992 -1.248707
H 4.707789 2.645205 0.213215
H 4.649585 1.874764 -1.414444


%chk=000211751-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211751

0 1
O 4.433426 0.219220 0.397689
O 2.901429 -2.223539 0.565945
O 2.986373 2.688591 -0.073411
N -1.227369 0.326699 -0.212809
N -1.790126 -0.908190 1.776507
C 0.172397 0.258296 -0.016724
C 3.024496 0.221574 0.224750
C 2.271773 -0.983030 0.297901
C 2.333064 1.441706 -0.027838
C 0.866794 -0.970963 0.196349
C 0.928933 1.453046 -0.156416
C -3.556819 -0.155678 0.240467
C -2.103990 -0.242943 0.593498
C -3.984320 0.848314 -0.667429
C -4.518614 -1.050500 0.780944
C -5.345029 0.965987 -1.014120
C -5.882425 -0.931972 0.431786
C -6.301520 0.079377 -0.462018
C 4.847982 0.001630 1.805091
C 3.869307 -2.668420 -0.463725
C 4.109863 2.816806 -1.027831
H 0.336622 -1.928419 0.224103
H 0.421676 2.399043 -0.361089
H -3.224019 1.514392 -1.086123
H -4.209237 -1.871447 1.439129
H -5.662800 1.748384 -1.712159
H -6.613506 -1.634059 0.847809
H -7.359623 0.171910 -0.731146
H -0.814230 -0.994467 2.059294
H -2.512696 -1.123545 2.458388
H 5.948944 0.024004 1.797677
H 4.485797 -0.979001 2.164053
H 4.456052 0.812070 2.447277
H 4.668631 -1.919151 -0.601956
H 3.346009 -2.846034 -1.422622
H 4.285349 -3.614109 -0.083454
H 4.479565 3.845483 -0.896970
H 4.902682 2.084315 -0.803520
H 3.744257 2.678918 -2.063896


