%chk=000217667.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217667

0 1
O -2.409530 2.714362 -0.000011
O 4.866941 -1.359214 0.000474
O 4.819361 0.875397 -0.000175
N -0.338161 1.766671 0.000684
C -0.074241 -0.673176 0.000488
C 0.499590 0.628976 0.000532
C -1.530129 -0.827975 0.000304
C -2.342082 0.322018 0.000359
C -1.762641 1.680521 0.001065
C 1.909309 0.770141 0.000384
C 0.782244 -1.793171 0.000338
C -2.153703 -2.095337 -0.000095
C 2.719360 -0.360944 0.000300
C -3.747372 0.207117 -0.000069
C 0.263420 3.125071 0.000293
C 2.162645 -1.652173 0.000281
C -3.539556 -2.200385 -0.000466
C -4.343510 -1.047213 -0.000464
C 4.191081 -0.158709 0.000182
H 2.377883 1.758465 0.000357
H 0.345370 -2.796015 0.000228
H -1.541776 -2.998080 -0.000163
H -4.351622 1.120654 0.000028
H 0.875339 3.287051 -0.902276
H 0.877092 3.286788 0.901708
H -0.541230 3.892111 0.001201
H 2.819395 -2.525181 0.000180
H -4.011049 -3.184273 -0.000790
H -5.428532 -1.141115 -0.000748
H 5.855503 -1.232583 0.000371


%chk=000217667-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217667

0 1
O -2.450037 2.745293 0.001577
O 4.957572 -1.335897 0.001835
O 4.788159 0.979775 0.001774
N -0.330322 1.753086 -0.000541
C -0.075237 -0.709836 -0.000925
C 0.499931 0.608746 -0.000620
C -1.537613 -0.851736 -0.000624
C -2.343367 0.327598 -0.000497
C -1.746546 1.686248 -0.001501
C 1.910330 0.756310 -0.000389
C 0.804267 -1.827925 -0.001000
C -2.198635 -2.115169 -0.000186
C 2.753556 -0.374598 -0.000627
C -3.759419 0.237555 0.000294
C 0.274165 3.102460 0.000455
C 2.197239 -1.680558 -0.000884
C -3.600651 -2.196577 0.000498
C -4.390639 -1.016281 0.000759
C 4.221008 -0.140663 -0.000553
H 2.383693 1.740377 -0.000172
H 0.385892 -2.838101 -0.001095
H -1.617980 -3.042009 -0.000263
H -4.327982 1.172692 0.000320
H 0.895001 3.253951 -0.899999
H 0.893737 3.253234 0.901904
H -0.553042 3.826916 0.000122
H 2.859375 -2.549278 -0.000966
H -4.086411 -3.178459 0.000882
H -5.483271 -1.085634 0.001275
H 5.926629 -1.111721 0.003647


