%chk=000249314.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249314

0 1
O -2.316942 -0.982404 -0.666643
O 1.163791 1.840252 -2.020616
O 2.518333 -2.482530 -0.171085
O 1.077849 3.086117 -0.157016
O 1.910428 -1.619361 1.807996
O -1.658223 0.064260 1.278255
N -0.266061 -0.078459 -0.589343
C 0.868842 0.624846 0.019154
C 2.177762 -0.162300 -0.154047
C 1.036382 1.995694 -0.661197
C 2.157724 -1.434229 0.643997
C -1.441407 -0.287726 0.140239
C -3.639171 -1.270363 -0.093626
C -4.478548 -0.013341 -0.062089
H 0.657828 0.805051 1.122780
H 3.047123 0.451629 0.179970
H 2.371650 -0.379890 -1.233184
H -0.190666 -0.373818 -1.562755
H -3.998958 -2.024885 -0.818239
H -3.494449 -1.716041 0.906851
H -5.516319 -0.230279 0.219168
H -4.086246 0.710174 0.670973
H -4.494936 0.490912 -1.036908
H 1.244234 2.708938 -2.503212
H 2.533580 -3.356548 0.307078


%chk=000249314-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249314

0 1
O -2.360018 -1.028863 -0.646858
O -0.068915 2.303816 -1.303367
O 3.162358 -2.527402 0.053475
O 2.102082 2.572542 -0.528812
O 1.891634 -1.618555 1.773629
O -1.615784 0.201811 1.228391
N -0.213354 -0.299641 -0.589746
C 0.935534 0.436328 -0.084531
C 2.261145 -0.327846 -0.302895
C 1.079814 1.862597 -0.652486
C 2.379963 -1.518477 0.629368
C -1.411391 -0.316912 0.102756
C -3.720827 -1.112497 -0.041817
C -4.549804 0.129165 -0.381449
H 0.773695 0.558276 1.006436
H 3.102804 0.359625 -0.092671
H 2.375672 -0.664075 -1.347911
H -0.212490 -0.667634 -1.541805
H -4.144051 -2.028123 -0.485424
H -3.612074 -1.234854 1.050154
H -5.579114 0.008742 0.005189
H -4.110379 1.027890 0.082813
H -4.605719 0.279409 -1.473590
H 0.060792 3.247689 -1.593799
H 3.262027 -3.277313 0.701451


