%chk=000249938.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249938

0 1
O -2.556466 1.438557 0.001621
O -7.515226 1.019930 0.000253
O -7.016409 -1.165717 -0.000886
N -1.793701 -0.740582 -0.000115
C 2.401286 -0.170248 -0.000294
C 3.871105 0.005356 -0.000351
C -0.378538 -0.500543 -0.000158
C 1.846332 -1.459444 -0.001425
C 1.556046 0.948537 0.000877
C 0.463780 -1.632852 -0.001354
C 0.169771 0.792414 0.000946
C 4.567991 0.087393 1.214477
C 4.567563 0.090190 -1.215238
C 5.955582 0.252980 1.210552
C 5.955150 0.255771 -1.211424
C 6.650425 0.337077 -0.000462
C -2.795080 0.246221 0.000954
C -4.188264 -0.314404 -0.000004
C -5.238404 0.509941 0.000587
C -6.621940 -0.022754 -0.000291
H 2.502621 -2.330368 -0.002348
H 1.985159 1.951847 0.001754
H 0.049380 -2.638026 -0.002208
H -0.480200 1.674666 0.001900
H 4.025786 0.023132 2.156324
H 4.025018 0.028092 -2.157034
H -2.069375 -1.725403 -0.001041
H 6.496264 0.317262 2.153423
H 6.495502 0.322230 -2.154332
H 7.730843 0.466397 -0.000507
H -4.308096 -1.402727 -0.001139
H -5.141666 1.606897 0.001736
H -8.463939 0.711779 -0.000093


%chk=000249938-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249938

0 1
O -2.655582 1.597474 0.001076
O -7.674813 0.882247 0.000448
O -6.949751 -1.331108 -0.000828
N -1.826175 -0.611096 -0.001309
C 2.423419 -0.144514 -0.000609
C 3.918382 -0.005696 -0.000378
C -0.419438 -0.404014 -0.001051
C 1.812203 -1.426218 -0.001145
C 1.581794 0.997344 -0.000302
C 0.411258 -1.557661 -0.001370
C 0.175976 0.886351 -0.000511
C 4.638038 0.059654 1.221549
C 4.638053 0.063606 -1.222079
C 6.045609 0.191051 1.221970
C 6.045625 0.194992 -1.222060
C 6.753901 0.258839 0.000066
C -2.849596 0.342405 -0.000956
C -4.213539 -0.267525 0.000397
C -5.331964 0.508707 0.002499
C -6.678820 -0.104322 0.004173
H 2.441577 -2.322601 -0.001404
H 2.036217 1.994179 0.000121
H -0.040046 -2.558542 -0.001802
H -0.462614 1.771253 -0.000279
H 4.091000 0.008763 2.169838
H 4.091025 0.015746 -2.170532
H -2.122984 -1.590635 -0.001640
H 6.586971 0.241079 2.173466
H 6.586999 0.248067 -2.173384
H 7.844861 0.361036 0.000239
H -4.327351 -1.361154 -0.000142
H -5.252396 1.600379 0.003110
H -8.569540 0.445516 -0.002472


