%chk=000245383.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245383

0 1
O 0.804998 1.780284 -0.154859
O -3.887667 0.288565 -0.826412
O -3.037169 -1.005371 0.824540
N 2.128929 -0.080299 -0.090023
C 2.277838 -1.568138 -0.023961
C 3.389212 0.744576 -0.067428
C 0.885392 0.559908 -0.091029
C 2.757985 -1.995275 1.368077
C 3.220577 -2.068866 -1.125206
C 3.427629 1.627483 1.184385
C 3.496754 1.578612 -1.347906
C -0.364413 -0.303434 0.009056
C -1.582456 0.465447 -0.495963
C -2.857503 -0.189164 -0.049597
C -5.246393 -0.163899 -0.528070
C -5.777741 0.570305 0.685099
H 1.265519 -2.029679 -0.209749
H 4.253712 0.027835 -0.028238
H 2.804247 -3.086658 1.451898
H 3.757103 -1.608305 1.599471
H 2.085244 -1.630366 2.153618
H 2.907656 -1.709763 -2.113383
H 3.235764 -3.163936 -1.157449
H 4.254377 -1.734295 -0.974397
H 4.364695 2.188597 1.243931
H 2.607027 2.364408 1.171999
H 3.321800 1.040839 2.101531
H 3.453707 0.954777 -2.245366
H 4.429381 2.149432 -1.371903
H 2.667323 2.302868 -1.415105
H -0.253988 -1.261201 -0.543020
H -0.514921 -0.593808 1.075888
H -1.552713 1.521539 -0.120551
H -1.560960 0.576860 -1.601847
H -5.765131 0.107997 -1.465488
H -5.228876 -1.259351 -0.388742
H -6.843988 0.369954 0.841254
H -5.246583 0.264106 1.599060
H -5.651470 1.656315 0.586182


%chk=000245383-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245383

0 1
O 0.788467 1.818339 -0.271419
O -3.984988 0.343126 -0.842294
O -2.966916 -1.084775 0.696858
N 2.136005 -0.070411 -0.063164
C 2.303572 -1.552023 0.053738
C 3.380995 0.769578 0.022479
C 0.902191 0.547158 -0.223161
C 2.901170 -1.955290 1.424870
C 3.123411 -2.128750 -1.126853
C 3.385560 1.677667 1.275305
C 3.632133 1.566370 -1.279465
C -0.352034 -0.345676 -0.332405
C -1.603446 0.497376 -0.634391
C -2.876961 -0.184864 -0.174018
C -5.326875 -0.170203 -0.424479
C -5.851137 0.605165 0.787534
H 1.296116 -1.993817 0.001762
H 4.208116 0.043209 0.132799
H 2.929679 -3.056738 1.511324
H 3.934334 -1.583752 1.552027
H 2.286985 -1.558182 2.252098
H 2.656988 -1.868832 -2.093660
H 3.174570 -3.230099 -1.049258
H 4.159888 -1.745271 -1.131105
H 4.355097 2.204570 1.349357
H 2.579314 2.424623 1.208518
H 3.244288 1.083008 2.195812
H 3.667854 0.892437 -2.154559
H 4.600902 2.095113 -1.210204
H 2.834134 2.309006 -1.435701
H -0.217783 -1.115045 -1.116169
H -0.516943 -0.891587 0.617622
H -1.508762 1.470683 -0.112857
H -1.688569 0.751275 -1.704126
H -5.952335 -0.013929 -1.317975
H -5.237505 -1.248440 -0.203088
H -6.878499 0.273453 1.027773
H -5.216176 0.425730 1.671255
H -5.877943 1.688696 0.579515


