%chk=000249319.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249319

0 1
O -3.043772 -1.418038 0.201168
O 3.097124 1.368862 -0.104542
O -3.161408 0.740667 0.787391
O 2.966184 -0.542414 1.052930
N -1.331942 1.115576 -1.566664
N 1.486752 -1.183152 -1.477544
C -0.036274 -0.011818 0.274622
C -1.300594 -0.048333 -0.658861
C 1.234549 0.012980 -0.647552
C -0.053996 -1.262842 1.158668
C -0.031928 1.249214 1.145546
C -2.568441 -0.130226 0.198583
C 2.491312 0.174338 0.205167
H -1.254471 -0.980820 -1.290062
H 1.155785 0.906558 -1.339833
H 0.927861 -1.432496 1.633903
H -0.306094 -2.175802 0.609134
H -0.779044 -1.176093 1.977204
H -1.007299 1.430829 1.619489
H 0.222265 2.152252 0.576690
H 0.697641 1.172078 1.962933
H -1.403996 1.991790 -1.051397
H -2.120927 1.066166 -2.206195
H 0.852451 -1.216467 -2.269408
H 1.391627 -2.043614 -0.945207
H -3.871031 -1.529908 0.743859
H 3.947868 1.511615 0.389778


%chk=000249319-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249319

0 1
O -3.078677 -1.472587 0.175939
O 2.948530 1.450722 -0.055447
O -3.253358 0.764218 0.763251
O 3.150812 -0.749186 0.650294
N -1.371966 1.257404 -1.433341
N 1.163504 -1.365455 -1.416002
C -0.059731 0.000463 0.320184
C -1.327906 0.026216 -0.624268
C 1.160649 -0.087353 -0.682331
C -0.102141 -1.239950 1.246816
C 0.027756 1.296618 1.163042
C -2.620392 -0.148386 0.178876
C 2.490569 0.130321 0.045568
H -1.208218 -0.842642 -1.295561
H 1.009327 0.739910 -1.398195
H 0.868483 -1.374695 1.756800
H -0.335366 -2.159112 0.682001
H -0.875685 -1.120051 2.026704
H -0.914857 1.463027 1.714602
H 0.227500 2.178563 0.530067
H 0.842261 1.226242 1.906360
H -1.718531 2.069185 -0.909018
H -1.866330 1.144224 -2.323723
H 1.538004 -2.144572 -0.862160
H 1.611210 -1.308328 -2.335987
H -3.914946 -1.533521 0.715816
H 3.809703 1.539626 0.439513


