%chk=000269302.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269302

0 1
O 3.762332 -0.460761 1.435561
O 5.103321 -0.463766 -1.093158
O -3.718408 -2.631802 1.197363
O -1.606011 -2.094875 0.737790
N -1.168964 0.390500 -0.329484
C -0.243115 1.436505 -0.833158
C 1.168888 0.905524 -0.859889
C -2.518173 0.591781 -0.171760
C 1.770900 0.472909 0.336120
C 1.878877 0.856936 -2.061164
C 3.076655 -0.011642 0.320878
C 3.807554 -0.049564 -0.902156
C -3.342815 -0.456145 0.350046
C 3.196614 0.388508 -2.083665
C -3.133423 1.837669 -0.517989
C -4.734340 -0.235383 0.487941
C -4.492658 2.009325 -0.361858
C -5.309253 0.971614 0.141249
C -2.773653 -1.730454 0.745698
C 2.993819 -0.667706 2.647413
C 5.817068 -1.023600 0.038468
H -0.293568 2.337624 -0.173370
H -0.566145 1.766044 -1.849945
H -0.749040 -0.527915 -0.102799
H 1.206825 0.520369 1.265815
H 1.416177 1.179591 -2.992833
H 3.762385 0.350363 -3.014650
H -2.527977 2.649163 -0.908467
H -5.349685 -1.051903 0.881814
H -4.954804 2.961832 -0.630398
H -6.377434 1.131404 0.250788
H 2.172563 -1.368727 2.467181
H 2.635703 0.290218 3.034751
H 3.746609 -1.105641 3.314749
H 5.916708 -0.270568 0.828217
H 6.785651 -1.272579 -0.409487
H 5.298876 -1.914273 0.407399
H -3.301961 -3.496875 1.458585


%chk=000269302-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269302

0 1
O 3.621555 -0.471873 1.518515
O 5.325220 0.020802 -0.719334
O -3.528929 -2.515495 1.716880
O -1.434845 -1.977714 0.895703
N -1.166755 0.348711 -0.428338
C -0.292785 1.311587 -1.108992
C 1.175181 0.918127 -0.993294
C -2.507671 0.551887 -0.189981
C 1.685222 0.376917 0.213239
C 2.057276 1.133782 -2.074813
C 3.052577 0.044296 0.341873
C 3.939950 0.250853 -0.761782
C -3.294444 -0.432217 0.530362
C 3.424460 0.803349 -1.952570
C -3.174692 1.738475 -0.642369
C -4.680411 -0.198058 0.762250
C -4.539392 1.938208 -0.391334
C -5.308715 0.972053 0.313367
C -2.660654 -1.653090 1.028363
C 2.731084 -0.684665 2.664826
C 5.796221 -1.299420 -0.250215
H -0.444625 2.316828 -0.658541
H -0.562720 1.403467 -2.182759
H -0.786374 -0.562785 -0.130712
H 1.006334 0.229323 1.058693
H 1.680625 1.546432 -3.017669
H 4.123546 0.957199 -2.780356
H -2.615244 2.492223 -1.203020
H -5.243177 -0.961300 1.307008
H -5.018638 2.855635 -0.752837
H -6.373897 1.138460 0.499311
H 1.924784 -1.402994 2.421171
H 2.288510 0.270046 3.008276
H 3.375951 -1.098818 3.453752
H 5.519863 -1.467132 0.802937
H 6.890213 -1.263967 -0.366402
H 5.377219 -2.104928 -0.884262
H -3.005723 -3.310505 2.004651


