%chk=000225981.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225981

0 1
O 1.423737 2.577522 -0.124115
O 0.627036 0.863775 -1.518638
O -0.217057 -2.299336 0.948639
O -2.515013 -0.672050 -0.424281
O -3.279519 -2.778332 -1.149851
N 0.841014 -1.288351 0.939280
C 2.987597 -0.762035 -0.069253
C 2.857175 0.736766 -0.492198
C 3.398855 -0.326561 -1.471530
C 4.089907 -1.078146 0.948721
C 1.766022 -1.621176 0.078878
C 1.528673 1.346771 -0.781577
C 0.141085 3.333955 -0.255348
C -0.522837 3.446541 1.122554
C -1.004473 2.092077 1.688994
C -1.329349 -1.822229 1.800762
C -1.667759 2.240884 3.074917
C -2.608908 -2.426117 1.214409
C -2.842662 -2.015648 -0.237226
C -2.544732 -0.130563 -1.821218
C -3.820976 0.685394 -2.036351
H 3.564197 1.419870 -0.015725
H 4.464288 -0.297889 -1.719088
H 2.727766 -0.577702 -2.298808
H 4.382489 -2.142978 0.886788
H 3.735253 -0.880093 1.975603
H 4.991395 -0.466289 0.762931
H 1.696863 -2.545420 -0.518371
H 0.431225 4.322400 -0.651877
H -0.504058 2.809123 -0.983113
H -1.383223 4.141514 1.024473
H 0.187995 3.918612 1.829290
H -0.144037 1.399290 1.758666
H -1.717166 1.627102 0.978092
H -1.356059 -0.722457 1.765455
H -1.167465 -2.165182 2.841248
H -2.558756 2.895781 3.026671
H -1.992424 1.261157 3.472423
H -0.965411 2.682868 3.807045
H -2.586435 -3.528147 1.243510
H -3.470965 -2.094065 1.825980
H -1.626344 0.475164 -1.884637
H -2.487209 -0.982305 -2.520864
H -3.796969 1.155944 -3.037159
H -3.911274 1.486860 -1.282022
H -4.716390 0.042898 -1.979078


%chk=000225981-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225981

0 1
O 2.575032 3.005037 0.121738
O 2.268994 1.530626 -1.674156
O -0.214389 -2.186501 -0.325728
O -3.382076 -1.524752 0.725004
O -3.737813 -1.656098 -1.577245
N 0.959710 -1.902958 0.511002
C 3.019220 -0.646177 0.555724
C 3.512762 0.842618 0.320716
C 4.222152 -0.340447 -0.347574
C 3.283880 -1.217363 1.945746
C 1.756655 -1.067693 -0.111704
C 2.730899 1.778510 -0.531036
C 1.769888 4.058478 -0.574844
C 0.404918 4.215305 0.108575
C -0.510864 2.977025 -0.021394
C -1.058191 -3.160346 0.397677
C -1.897115 3.204912 0.617522
C -2.321978 -3.339208 -0.450389
C -3.202744 -2.099635 -0.537091
C -4.249267 -0.308421 0.785528
C -5.721665 -0.699789 0.936862
H 3.972582 1.307884 1.195486
H 5.214169 -0.613345 0.023475
H 4.084354 -0.430039 -1.429173
H 3.332018 -2.319610 1.902187
H 2.472519 -0.949690 2.644214
H 4.239880 -0.839133 2.349707
H 1.524968 -0.669115 -1.111177
H 2.378670 4.973590 -0.482793
H 1.664654 3.771798 -1.636599
H -0.093605 5.094903 -0.350492
H 0.558164 4.459665 1.178295
H -0.023369 2.107274 0.459715
H -0.626834 2.715188 -1.091137
H -1.297313 -2.769529 1.401497
H -0.512890 -4.119072 0.493192
H -2.429264 4.043666 0.129726
H -2.529666 2.303381 0.523751
H -1.805680 3.445218 1.694018
H -2.060693 -3.633639 -1.480151
H -2.923681 -4.155623 -0.005328
H -3.871253 0.236230 1.665836
H -4.084338 0.283913 -0.131881
H -6.338279 0.209186 1.066456
H -5.869643 -1.345101 1.820119
H -6.078372 -1.231925 0.039122


