%chk=000202639.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202639

0 1
O 1.456092 -0.145522 2.724398
O -2.214328 0.184701 -2.725698
O -4.838411 -0.727656 0.363650
O -4.686274 -0.418106 -1.865130
N 4.182990 0.125976 0.437688
N 1.401129 0.311443 0.457433
C 3.534845 0.511757 1.725700
C 4.511696 -1.341530 0.431551
C 5.391401 0.969626 0.154002
C 2.042157 0.172898 1.710143
C 4.708818 -1.821786 -1.005398
C 4.970852 2.387976 -0.228671
C 0.025530 0.101682 0.184597
C -0.392773 0.243362 -1.153128
C -0.908696 -0.222962 1.193260
C -2.704550 -0.266795 -0.462288
C -1.750578 0.057868 -1.453209
C -2.243371 -0.400603 0.864886
C -4.118316 -0.459022 -0.799514
C -6.261632 -0.947002 0.193849
H 3.625876 1.613086 1.890206
H 3.986250 0.035037 2.626661
H 5.406630 -1.582802 1.045005
H 3.658531 -1.895228 0.886480
H 6.106192 0.995539 1.004846
H 5.933975 0.505359 -0.702219
H 3.851613 -1.551951 -1.636358
H 5.600305 -1.384844 -1.470261
H 4.815623 -2.912292 -1.040289
H 4.238065 2.378911 -1.046179
H 4.513255 2.927065 0.609175
H 5.834358 2.973609 -0.564918
H 2.009891 0.516194 -0.353157
H 0.310583 0.490134 -1.939099
H -0.577399 -0.335849 2.231746
H -2.970692 -0.652393 1.647245
H -1.497437 0.413082 -3.374060
H -6.423909 -1.823126 -0.441902
H -6.602325 -1.114543 1.220121
H -6.720565 -0.058794 -0.252163


%chk=000202639-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202639

0 1
O 1.524346 0.030822 3.071314
O -1.905483 -0.131606 -2.764636
O -4.849553 -0.581747 0.334161
O -4.530451 -0.490775 -1.970260
N 4.137593 0.137175 0.460556
N 1.490858 0.118968 0.701487
C 3.621142 0.386813 1.833201
C 4.509440 -1.302944 0.277971
C 5.219115 1.084189 0.052262
C 2.097040 0.145334 1.948823
C 4.552932 -1.744109 -1.195695
C 4.693632 2.499467 -0.248818
C 0.127202 -0.027894 0.372192
C -0.224686 -0.012671 -1.001064
C -0.891208 -0.186743 1.353583
C -2.607667 -0.311509 -0.437635
C -1.570787 -0.151151 -1.408482
C -2.221913 -0.323291 0.932602
C -4.035526 -0.462256 -0.819063
C -6.291916 -0.740206 0.058288
H 3.797640 1.440926 2.115212
H 4.115535 -0.236859 2.608013
H 5.486715 -1.521275 0.771438
H 3.746278 -1.904796 0.806013
H 6.019432 1.130404 0.829102
H 5.688455 0.679006 -0.861237
H 3.577241 -1.570071 -1.684184
H 5.327297 -1.209605 -1.774104
H 4.780327 -2.823835 -1.257731
H 3.946386 2.470528 -1.061416
H 4.219519 2.966809 0.633208
H 5.525917 3.155414 -0.563227
H 2.211551 0.215614 -0.044448
H 0.559517 0.113098 -1.760831
H -0.622040 -0.198831 2.410725
H -3.013507 -0.445038 1.675612
H -1.092245 -0.009482 -3.318175
H -6.474426 -1.653222 -0.534179
H -6.761728 -0.811710 1.049914
H -6.676575 0.129556 -0.501492


