%chk=000251697.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251697

0 1
O 0.545177 0.143800 -2.034954
O -1.610731 3.644403 -1.476681
O 3.733463 -2.367552 0.455843
O -1.512685 4.666066 0.511065
O -1.219876 0.640331 2.207433
N -1.257387 1.278109 0.007397
C 0.892742 2.424252 -0.580677
C -0.415872 2.466222 0.240419
C 1.680989 1.188123 -0.275688
C 1.487218 0.004077 -1.039712
C 2.605609 1.148049 0.768526
C -1.224740 3.705230 -0.156966
C 2.184757 -1.171741 -0.775200
C 3.331638 -0.012042 1.064613
C -1.478123 0.361736 1.052963
C 3.109357 -1.155542 0.289521
C -2.092919 -0.926620 0.593412
C -1.263323 -2.033601 0.373478
C -3.477549 -1.023517 0.417198
C 0.259400 -1.005886 -2.871081
C -1.828581 -3.245975 -0.030907
C -4.035439 -2.240395 0.012511
C -3.212490 -3.348955 -0.211621
C 4.689630 -2.497164 1.537998
H 0.655972 2.464748 -1.670464
H 1.491260 3.334761 -0.373479
H -0.184526 2.547810 1.346899
H -1.307996 0.970374 -0.969957
H 2.767671 2.041395 1.376178
H 2.057040 -2.081831 -1.349972
H 4.039694 -0.007444 1.884690
H -0.184929 -1.950852 0.526861
H -4.115554 -0.158386 0.600365
H -2.155926 4.429693 -1.751271
H -0.475682 -0.593702 -3.574612
H 1.162988 -1.331145 -3.394918
H -0.176715 -1.808602 -2.267357
H -1.191394 -4.113626 -0.195052
H -5.112830 -2.324255 -0.122931
H -3.650635 -4.296642 -0.522654
H 5.003457 -3.544158 1.434729
H 4.198282 -2.327372 2.500710
H 5.531856 -1.816972 1.382344


%chk=000251697-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251697

0 1
O 0.647267 -0.164995 -1.901593
O -2.320852 3.238390 -0.217007
O 4.788906 -1.991003 -0.158491
O -0.878392 4.332243 1.237428
O -2.366097 0.922327 2.140491
N -1.102703 0.825617 0.205540
C 0.859128 2.230953 -0.389050
C -0.349280 2.019516 0.578689
C 1.899620 1.126178 -0.304693
C 1.795190 -0.069745 -1.076694
C 3.022117 1.247292 0.540279
C -1.194006 3.301841 0.603957
C 2.769577 -1.082092 -1.010078
C 4.017444 0.247102 0.637834
C -2.101469 0.350707 1.031400
C 3.882633 -0.920613 -0.147735
C -2.846014 -0.874887 0.568169
C -3.563648 -1.611775 1.544208
C -2.885988 -1.297214 -0.786461
C 0.556507 -1.307707 -2.819153
C -4.289625 -2.764372 1.179485
C -3.619202 -2.447411 -1.152832
C -4.316946 -3.188319 -0.170581
C 5.954571 -1.898171 0.725168
H 0.473085 2.318773 -1.421350
H 1.326565 3.194032 -0.119420
H 0.028799 1.914807 1.613529
H -0.813480 0.338629 -0.650675
H 3.126467 2.159944 1.139230
H 2.702633 -2.004074 -1.592096
H 4.869544 0.392152 1.306634
H -3.540989 -1.251440 2.577926
H -2.384662 -0.712192 -1.566703
H -2.824072 4.093658 -0.136561
H -0.354049 -1.132374 -3.411235
H 1.436134 -1.343712 -3.488118
H 0.465949 -2.259937 -2.263311
H -4.836597 -3.329298 1.942346
H -3.658323 -2.758607 -2.202915
H -4.885645 -4.080307 -0.456492
H 6.512013 -2.832152 0.562944
H 5.648790 -1.824567 1.786694
H 6.591398 -1.031998 0.460291


