%chk=000245772.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245772

0 1
O 0.505890 -3.198192 -0.581250
O -0.993801 0.256720 -2.330002
O -3.152914 -1.467918 2.269793
N 5.130778 0.934793 0.603558
C 0.380943 -1.844150 -1.058412
C -0.875971 -1.216590 -0.473936
C 1.608441 -1.104563 -0.587720
C -2.625084 0.632305 -0.646954
C -1.454286 -0.070711 -1.255641
C -3.198330 0.179538 0.557296
C -1.425238 -1.638023 0.668656
C 1.998621 0.073769 -1.240918
C 2.368646 -1.580217 0.488484
C -2.644616 -1.019734 1.264986
C 3.900681 0.300094 0.264636
C 3.123632 0.774809 -0.820807
C 3.499365 -0.890037 0.916327
C -3.155818 1.753312 -1.291763
C -4.294860 0.850967 1.103115
C -4.255056 2.425682 -0.738904
C -4.822464 1.976328 0.453484
C 5.263237 2.371402 0.234578
C 5.664172 0.670027 1.968359
H 0.322250 -1.865336 -2.175112
H -0.994595 -2.471739 1.240333
H 1.409175 0.448585 -2.082816
H 2.069237 -2.506333 0.986591
H 3.409297 1.682127 -1.347736
H 4.077590 -1.287746 1.746693
H -2.706760 2.097691 -2.228590
H -4.735124 0.490028 2.038083
H -0.143462 -3.775300 -1.030097
H -4.664035 3.300335 -1.245888
H -5.678042 2.497355 0.884852
H 6.292590 2.709001 0.438260
H 4.564834 3.032972 0.770199
H 5.097249 2.490704 -0.851089
H 6.665469 1.120561 2.065157
H 5.789127 -0.418443 2.110313
H 5.025632 1.057529 2.777381


%chk=000245772-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245772

0 1
O 0.538436 -3.213329 -0.800873
O -0.984352 0.429634 -2.324759
O -3.139832 -1.618330 2.294691
N 4.993658 1.103614 0.820553
C 0.383790 -1.796297 -1.167642
C -0.878207 -1.195867 -0.544912
C 1.608015 -1.045211 -0.652122
C -2.666970 0.640562 -0.598752
C -1.474300 -0.002747 -1.229008
C -3.232024 0.109694 0.596977
C -1.454108 -1.705799 0.595198
C 2.166496 0.023697 -1.392998
C 2.193443 -1.379403 0.594375
C -2.640334 -1.107929 1.236054
C 3.884615 0.400339 0.337742
C 3.280566 0.737351 -0.916499
C 3.311848 -0.683366 1.081113
C -3.239574 1.789837 -1.197139
C -4.362271 0.731983 1.177786
C -4.364308 2.406540 -0.611677
C -4.926628 1.876828 0.577440
C 5.560773 2.209084 0.038268
C 5.582420 0.749814 2.118379
H 0.318925 -1.672224 -2.266825
H -1.032252 -2.593756 1.079620
H 1.712791 0.309469 -2.348918
H 1.785527 -2.218145 1.167734
H 3.682172 1.553881 -1.522454
H 3.746406 -0.985665 2.037881
H -2.787079 2.177392 -2.115491
H -4.777046 0.300065 2.094317
H -0.239696 -3.719915 -1.149068
H -4.804755 3.295388 -1.075824
H -5.800878 2.357631 1.029374
H 6.423842 2.633539 0.574751
H 4.823706 3.022764 -0.120332
H 5.912167 1.869850 -0.957444
H 6.433166 1.416684 2.328947
H 5.956946 -0.294074 2.129692
H 4.851308 0.858018 2.945345


