%chk=000228045.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228045

0 1
O -0.461282 1.265662 0.322861
O -2.682121 2.712202 0.247247
O -2.097940 -0.627799 -2.260685
O -4.299693 2.795255 -2.088799
O -5.204579 1.705835 0.256297
O -0.670038 -2.520221 -1.247111
N 0.726158 -1.201669 0.014889
C -1.612476 0.738998 -0.361816
C -2.404965 1.928481 -0.941482
C -1.014805 -0.173397 -1.454218
C -3.726799 1.558008 -1.650998
C -0.295094 -1.411181 -0.873932
C -4.725964 0.810694 -0.753789
C 1.514212 -2.331445 0.565169
C 3.006675 -2.171983 0.230974
C 3.631518 -1.030037 0.984746
C 3.791372 0.220560 0.369422
C 4.049086 -1.207797 2.312998
C 4.364357 1.281100 1.076950
C 4.621115 -0.144111 3.015243
C 4.779628 1.102080 2.399972
H -2.222072 0.165610 0.372544
H -1.773986 2.546295 -1.621592
H -0.334816 0.398667 -2.129739
H -3.508893 0.992567 -2.593845
H -5.645241 0.536708 -1.308553
H -4.292188 -0.094121 -0.295794
H 1.362735 -2.370794 1.668292
H 1.127334 -3.292523 0.144806
H 0.968594 -0.257509 0.340117
H -0.740072 2.015316 0.911359
H -3.017284 3.598822 -0.027124
H 3.532294 -3.121660 0.466666
H 3.137743 -2.041017 -0.864058
H -2.122659 -1.638469 -2.276397
H -5.001957 3.085052 -1.447320
H -4.448943 1.971508 0.849693
H 3.474576 0.367030 -0.661334
H 3.930286 -2.174538 2.797673
H 4.488112 2.249633 0.594404
H 4.945448 -0.286669 4.045136
H 5.226221 1.928555 2.948728


%chk=000228045-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228045

0 1
O -0.201834 1.143227 0.148292
O -2.276701 2.790000 0.194717
O -2.232042 -0.817294 -2.248884
O -4.209944 3.027961 -1.747817
O -4.988712 1.792569 0.583164
O -0.648812 -2.742561 -1.484395
N 0.720298 -1.397502 -0.134005
C -1.459768 0.646487 -0.448803
C -2.233406 1.866752 -0.981120
C -1.045307 -0.346716 -1.552929
C -3.673676 1.663587 -1.512537
C -0.288460 -1.603174 -1.024727
C -4.625341 0.918743 -0.553702
C 1.548188 -2.488666 0.403362
C 3.068149 -2.217371 0.222608
C 3.548709 -0.990988 0.987695
C 3.676072 0.269115 0.348097
C 3.842539 -1.077183 2.374402
C 4.082609 1.413138 1.073170
C 4.249252 0.062623 3.102765
C 4.369505 1.314096 2.453777
H -2.054738 0.123422 0.327784
H -1.635468 2.350603 -1.781003
H -0.367092 0.185125 -2.254903
H -3.629716 1.135102 -2.476119
H -5.580556 0.708975 -1.060928
H -4.188518 -0.039807 -0.218686
H 1.325778 -2.625845 1.480169
H 1.254887 -3.411638 -0.125419
H 0.836091 -0.430717 0.215846
H -0.430413 1.973518 0.646439
H -2.690912 3.628717 -0.144422
H 3.605074 -3.119187 0.574733
H 3.278856 -2.109750 -0.857154
H -2.093003 -1.812534 -2.338651
H -4.908645 3.169366 -1.047694
H -4.138771 2.067239 1.027393
H 3.463706 0.353405 -0.724710
H 3.760587 -2.046139 2.883711
H 4.178534 2.377076 0.560669
H 4.478000 -0.024658 4.171034
H 4.688599 2.198581 3.016381


