%chk=000247368.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247368

0 1
O -0.000243 -0.473100 -0.488303
O 0.000881 0.447921 2.166596
O -6.401128 0.486603 -0.416151
O 6.402051 0.477393 -0.418393
N -3.643318 -0.208075 -0.139533
N 3.643379 -0.213476 -0.140726
C -1.212208 0.082206 0.093424
C 1.212719 0.080498 0.092989
C -2.319866 -0.714257 -0.620574
C 2.318990 -0.717538 -0.621416
C -1.198768 -0.132819 1.614009
C 1.199510 -0.134514 1.613580
C -4.060200 1.017494 -0.899167
C -4.697846 -1.268283 -0.267474
C 4.061634 1.011902 -0.899907
C 4.696330 -1.275117 -0.269781
C -5.396029 1.517067 -0.326420
C -6.018826 -0.711773 0.288633
C 5.398478 1.509248 -0.327588
C 6.018392 -0.720808 0.285950
H -1.240366 1.165101 -0.153985
H 1.242299 1.163346 -0.154443
H -2.205519 -1.793254 -0.375661
H -2.173676 -0.640870 -1.720316
H 2.172591 -0.643841 -1.721109
H 2.203102 -1.796387 -0.376545
H -2.005163 0.428161 2.120869
H -1.251367 -1.198277 1.889841
H 1.250701 -1.200049 1.889389
H 2.006878 0.425311 2.120169
H -4.163930 0.835826 -1.990792
H -3.278951 1.795966 -0.767446
H -4.382821 -2.150953 0.328815
H -4.845082 -1.609010 -1.314854
H 3.281574 1.791424 -0.767352
H 4.164530 0.830673 -1.991684
H 4.842543 -1.615493 -1.317420
H 4.380347 -2.157656 0.326194
H -5.297917 1.832963 0.727220
H -5.833500 2.329019 -0.933003
H -6.871060 -1.385333 0.092042
H -5.945926 -0.486681 1.367392
H 5.836798 2.320896 -0.933965
H 5.301364 1.824722 0.726270
H 5.946366 -0.496188 1.364865
H 6.869555 -1.395488 0.088562


%chk=000247368-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247368

0 1
O -0.000308 -0.583358 -0.536541
O 0.001047 0.691843 2.050101
O -6.521123 0.474227 -0.364871
O 6.522005 0.464963 -0.367227
N -3.712388 -0.253055 -0.157213
N 3.712390 -0.258628 -0.158253
C -1.225135 0.062852 -0.006575
C 1.225623 0.061052 -0.006950
C -2.388867 -0.736284 -0.615521
C 2.388004 -0.739704 -0.616345
C -1.208136 0.028108 1.530470
C 1.209051 0.026244 1.530094
C -4.137501 1.008356 -0.821538
C -4.772268 -1.286237 -0.299222
C 4.138806 1.002791 -0.821743
C 4.770762 -1.293135 -0.301913
C -5.469255 1.494589 -0.226526
C -6.090406 -0.769069 0.297321
C 5.471641 1.486637 -0.227214
C 6.090035 -0.778327 0.294161
H -1.232887 1.124152 -0.340294
H 1.234757 1.122360 -0.340601
H -2.271849 -1.789223 -0.296232
H -2.286006 -0.719897 -1.728017
H 2.284909 -0.722889 -1.728820
H 2.269475 -1.792538 -0.297272
H -2.065121 0.578031 1.947604
H -1.240737 -1.028617 1.876677
H 1.240102 -1.030549 1.876229
H 2.067004 0.574803 1.947033
H -4.258303 0.861183 -1.924830
H -3.367656 1.786839 -0.666107
H -4.458049 -2.199291 0.240739
H -4.940885 -1.558854 -1.371538
H 3.370190 1.782235 -0.665059
H 4.258626 0.856450 -1.925252
H 4.938237 -1.565023 -1.374595
H 4.455650 -2.206237 0.237448
H -5.326992 1.742550 0.847637
H -5.844821 2.380048 -0.765455
H -6.910470 -1.488217 0.136273
H -5.959564 -0.587017 1.386028
H 5.848054 2.372080 -0.765577
H 5.330458 1.733796 0.847278
H 5.960221 -0.597072 1.383124
H 6.908982 -1.498472 0.131887


