%chk=000225671.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225671

0 1
O -0.879022 1.930762 0.532014
O -1.342101 -2.588840 -0.441872
N -1.545727 -0.311055 0.095044
N 1.768751 1.154562 -0.327442
N -3.568255 0.923834 -0.124541
N 3.492734 -0.326639 0.457738
C 0.718185 0.242074 -0.252676
C 0.600379 -1.077648 -0.549037
C -0.652002 0.813283 0.167845
C -0.821621 -1.514895 -0.327987
C -2.971794 -0.244481 0.255710
C 1.586847 -2.057295 -1.028648
C 3.135334 0.883994 -0.069754
C -3.683386 -1.346051 0.769936
C -4.916521 1.036777 0.036730
C -5.065866 -1.210913 0.915649
C 4.078567 1.901949 -0.363815
C -5.695488 -0.017977 0.558963
C 4.816863 -0.559457 0.693893
C 5.422064 1.636438 -0.110094
C 5.807970 0.402657 0.420621
C -5.535433 2.330516 -0.374980
C 5.165942 -1.892755 1.266125
H 1.492348 2.145657 -0.308197
H 1.114088 -2.976835 -1.405327
H 2.215221 -1.641617 -1.831350
H 2.278092 -2.347530 -0.213471
H -3.173410 -2.274275 1.026556
H -5.650982 -2.042469 1.311546
H 3.769438 2.853637 -0.783506
H -6.768433 0.101255 0.674990
H 6.175511 2.395713 -0.327802
H 6.852496 0.187502 0.622572
H -4.779833 3.050406 -0.735708
H -6.260412 2.186430 -1.188194
H -6.059063 2.808106 0.465158
H 5.768050 -1.792113 2.180736
H 4.271075 -2.480090 1.531834
H 5.746297 -2.492216 0.549442


%chk=000225671-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225671

0 1
O -0.817975 1.857294 0.662171
O -1.534291 -2.742888 -0.075614
N -1.630586 -0.377213 0.301412
N 1.710816 0.909240 0.270655
N -3.535247 0.878731 -0.326302
N 3.710129 -0.394997 0.192185
C 0.693715 -0.023194 0.188447
C 0.517447 -1.377450 -0.033679
C -0.667194 0.636327 0.403567
C -0.944455 -1.642126 0.048267
C -3.051388 -0.205252 0.331058
C 1.440294 -2.519897 -0.344117
C 3.111986 0.824106 0.243599
C -3.865163 -1.150794 1.001584
C -4.886061 1.099873 -0.316679
C -5.257883 -0.934001 0.982919
C 3.849474 2.045324 0.288408
C -5.778677 0.204953 0.326984
C 5.079688 -0.460652 0.178273
C 5.251473 1.969701 0.279913
C 5.884379 0.702974 0.223913
C -5.363220 2.338354 -1.042648
C 5.677660 -1.849502 0.117108
H 1.325372 1.855627 0.423032
H 1.347151 -2.813278 -1.408272
H 2.481753 -2.232132 -0.144178
H 1.157645 -3.408282 0.249112
H -3.422034 -2.014539 1.500253
H -5.927882 -1.641164 1.482789
H 3.333619 3.010749 0.324079
H -6.855395 0.399010 0.307512
H 5.848964 2.886499 0.313890
H 6.974445 0.617607 0.216225
H -5.043467 2.309777 -2.099612
H -6.460966 2.435797 -1.004781
H -4.908180 3.240298 -0.595781
H 6.779494 -1.816629 0.111779
H 5.345902 -2.450632 0.982764
H 5.335560 -2.377221 -0.791535


