%chk=000274683.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274683

0 1
O -1.343100 2.076917 1.505799
O -0.037734 -2.169957 -0.229148
O -3.857159 -0.113118 -1.607635
N -2.569576 1.003750 -0.055058
N -1.875045 -1.104219 -0.961323
C -0.235023 0.174806 0.466583
C 0.427757 -0.128283 1.828510
C 0.760134 0.916056 -0.462776
C 1.726252 -0.921906 1.670529
C 2.170543 0.385225 -0.415075
C 2.620455 -0.411722 0.571444
C -1.389857 1.155508 0.723749
C -0.649652 -1.130201 -0.218894
C 3.016966 0.866290 -1.552726
C 4.026602 -0.918397 0.651835
C -2.847809 -0.074493 -0.940329
H -0.275040 -0.675472 2.485438
H 0.638171 0.838897 2.338920
H 0.798996 1.991255 -0.166333
H 0.381937 0.902029 -1.505814
H 1.489206 -1.990272 1.445998
H 2.267009 -0.929178 2.638433
H 4.077092 0.596955 -1.425486
H 2.976118 1.958097 -1.658529
H 2.688592 0.423759 -2.503449
H 4.053506 -2.016437 0.606870
H 4.507925 -0.612288 1.590312
H 4.657656 -0.548045 -0.170104
H -3.308564 1.718749 0.048195
H -2.102958 -1.939605 -1.526239


%chk=000274683-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000274683

0 1
O -1.422173 2.037229 1.608327
O -0.042690 -2.223928 -0.163366
O -3.802270 -0.053615 -1.788880
N -2.549052 0.994048 -0.114258
N -1.823291 -1.050187 -1.035645
C -0.269128 0.144727 0.526327
C 0.429742 -0.145299 1.884195
C 0.744985 0.937248 -0.393479
C 1.780204 -0.875667 1.742006
C 2.170133 0.390995 -0.408200
C 2.652002 -0.417449 0.581023
C -1.446953 1.115112 0.753155
C -0.678716 -1.141336 -0.206639
C 2.958648 0.876148 -1.612771
C 4.055598 -0.993834 0.620327
C -2.791487 -0.033747 -1.043737
H -0.246831 -0.730810 2.534553
H 0.575123 0.835352 2.370745
H 0.757849 1.984903 -0.026741
H 0.354461 0.977171 -1.431201
H 1.609943 -1.963165 1.626591
H 2.344998 -0.746903 2.688582
H 4.033218 0.645387 -1.548771
H 2.861591 1.974319 -1.728373
H 2.570880 0.424255 -2.548444
H 4.011104 -2.094951 0.734670
H 4.612911 -0.608631 1.497823
H 4.651426 -0.777064 -0.279908
H -3.280827 1.708334 -0.039099
H -2.027998 -1.863942 -1.625114


