%chk=000218483.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218483

0 1
O -0.258152 0.238530 -0.315797
O 2.275827 -2.169232 -1.075818
O -2.417587 2.284867 -0.003997
O -4.930720 1.176914 1.019205
N 2.561100 0.084265 -0.883480
N 4.699216 1.266723 0.688239
C 3.990883 -0.070378 -1.282690
C 2.339846 1.316669 -0.084403
C 4.926137 -0.015604 -0.058282
C 3.272626 1.358155 1.144917
C 1.806052 -1.088398 -0.728704
C 0.413889 -1.019974 -0.242307
C 5.624221 1.356823 1.856899
C -0.409575 -2.003261 0.255975
C -1.683526 -1.368956 0.546999
C -1.534844 -0.006989 0.174931
C -0.083140 -3.424648 0.458596
C -2.572122 0.938458 0.281106
C -2.911212 -1.811219 1.069366
C -3.789398 0.458923 0.800459
C -3.945454 -0.903627 1.197260
C -1.867820 2.550612 -1.324945
C -4.946514 2.580705 0.644217
H 4.230521 0.754186 -1.991327
H 4.126460 -1.035151 -1.825556
H 1.278946 1.405380 0.240291
H 2.548655 2.188163 -0.748822
H 4.780165 -0.921100 0.569442
H 5.981982 -0.028285 -0.405398
H 3.141172 2.329978 1.668452
H 2.990165 0.560991 1.865087
H 5.475999 2.327438 2.357435
H 6.663993 1.342065 1.491231
H 5.509659 0.559387 2.605673
H 0.896346 -3.683075 0.006846
H -0.032931 -3.682712 1.526547
H -0.831729 -4.083297 -0.006575
H -3.034427 -2.852633 1.364216
H -4.914742 -1.200597 1.598544
H -0.862554 2.120377 -1.408599
H -1.833657 3.644990 -1.340580
H -2.532270 2.155174 -2.096516
H -4.148820 3.120423 1.168768
H -5.941758 2.889393 0.983255
H -4.833711 2.676948 -0.439060


%chk=000218483-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218483

0 1
O -0.309594 0.244001 -0.203754
O 2.178323 -2.236295 -1.129681
O -2.458268 2.332371 0.129768
O -5.045534 1.241813 1.063475
N 2.599158 -0.007829 -0.577637
N 4.877106 1.274028 0.641512
C 3.935033 -0.080003 -1.211746
C 2.416716 1.195195 0.264456
C 5.049243 0.033731 -0.154176
C 3.553942 1.290475 1.305744
C 1.769541 -1.124423 -0.639502
C 0.369837 -1.030155 -0.155806
C 5.988429 1.500793 1.584890
C -0.497506 -2.028944 0.272476
C -1.778679 -1.387678 0.533671
C -1.627731 -0.011232 0.219896
C -0.202059 -3.491903 0.452775
C -2.651203 0.954860 0.343955
C -3.028160 -1.844386 1.027147
C -3.904670 0.467723 0.823448
C -4.066263 -0.911958 1.164126
C -1.788837 2.719830 -1.132550
C -5.279701 2.493878 0.320784
H 4.027581 0.759944 -1.927493
H 4.005044 -1.039095 -1.748733
H 1.441666 1.163918 0.768672
H 2.448627 2.094320 -0.381870
H 5.032454 -0.880588 0.492415
H 6.030521 0.071599 -0.662811
H 3.446984 2.239300 1.864393
H 3.446090 0.448056 2.038464
H 5.847153 2.467562 2.100818
H 6.942262 1.546497 1.029330
H 6.080531 0.702624 2.364419
H 0.831806 -3.720100 0.155774
H -0.362566 -3.799175 1.503806
H -0.878930 -4.102975 -0.173950
H -3.184932 -2.894794 1.289613
H -5.053713 -1.209145 1.529669
H -0.759643 2.326131 -1.172572
H -1.778437 3.820199 -1.123464
H -2.363578 2.351759 -2.004279
H -4.589671 3.286433 0.648491
H -6.322859 2.757228 0.555637
H -5.168314 2.333811 -0.768501


