%chk=000248616.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248616

0 1
O 4.229924 0.728899 -0.951910
O -3.902499 0.254833 -0.728914
O 0.193034 -3.141001 -0.570009
O -4.036002 -4.583164 0.810366
O 2.173027 -4.041220 -0.000393
O -1.946678 -4.526109 0.034405
N 2.681927 1.082549 0.720651
N -1.696377 0.704982 -0.260887
C -0.374764 2.817574 -0.053189
C 2.559472 2.576034 0.591731
C 0.660512 2.371697 -1.105239
C 0.116464 2.513205 1.376525
C 2.055286 2.936943 -0.826204
C 1.524808 3.059324 1.638773
C -1.792576 2.206499 -0.332024
C 3.931184 3.208963 0.852637
C -2.281968 2.605939 -1.733480
C -2.809368 2.688308 0.715396
C 3.424713 0.291586 -0.152253
C -2.777735 -0.143201 -0.477299
C 3.110725 -1.176953 -0.011943
C -2.433879 -1.606332 -0.375569
C 1.947086 -1.648183 -0.459563
C -3.266253 -2.464469 0.215656
C 1.538744 -3.064189 -0.312560
C -2.955419 -3.905810 0.310643
H -0.490004 3.927927 -0.141497
H 0.714810 1.268124 -1.158394
H 0.332838 2.699595 -2.112886
H -0.583598 2.960211 2.111791
H 0.089984 1.425270 1.572706
H 2.053704 4.036960 -0.941722
H 2.775009 2.560552 -1.585261
H 1.851534 2.791103 2.661220
H 1.504736 4.167514 1.621972
H 4.675051 2.841101 0.125351
H 3.903347 4.298878 0.766924
H 4.316665 2.960305 1.847080
H 2.063903 0.639561 1.397313
H -1.635467 2.223770 -2.529944
H -2.346638 3.692379 -1.843353
H -3.290587 2.200447 -1.922931
H -2.885079 3.779439 0.730774
H -2.566249 2.349918 1.726876
H -3.815130 2.296876 0.484905
H -0.779739 0.320428 -0.044739
H 3.888480 -1.792929 0.449489
H -1.482368 -1.924304 -0.830226
H 1.205277 -1.017040 -0.962054
H -4.232149 -2.162046 0.646275
H -0.203656 -4.069158 -0.443783
H -3.873161 -5.566486 0.884667


%chk=000248616-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248616

0 1
O 4.195241 0.677549 -1.246629
O -4.072542 0.234218 -0.474257
O 0.160805 -3.027585 0.685379
O -4.168002 -4.830864 -0.399521
O 2.150623 -4.045942 -0.029750
O -1.949093 -4.523556 0.142839
N 2.834490 1.135675 0.612175
N -1.789675 0.705612 -0.154688
C -0.365875 2.752498 -0.058380
C 2.659444 2.611025 0.437914
C 0.638918 2.289271 -1.150760
C 0.225700 2.484601 1.355456
C 2.041559 2.910469 -0.960620
C 1.649232 3.075034 1.523139
C -1.830674 2.199736 -0.253450
C 4.019162 3.328353 0.605474
C -2.389285 2.606981 -1.646671
C -2.782760 2.756448 0.842295
C 3.476565 0.285742 -0.270570
C -2.875867 -0.148336 -0.270093
C 3.184297 -1.180592 -0.097797
C -2.500904 -1.596190 -0.126193
C 1.979346 -1.621948 0.358184
C -3.422070 -2.586713 -0.292514
C 1.503563 -3.030873 0.312565
C -3.070017 -4.013817 -0.153442
H -0.469290 3.854470 -0.162033
H 0.736474 1.183847 -1.152160
H 0.265585 2.566063 -2.152625
H -0.426295 2.925326 2.130851
H 0.241230 1.392608 1.560721
H 1.973864 4.012442 -1.061049
H 2.727406 2.550996 -1.747280
H 2.043326 2.832938 2.531527
H 1.590943 4.179266 1.466818
H 4.740019 2.957209 -0.142033
H 3.898706 4.418699 0.468647
H 4.434762 3.148357 1.613853
H 2.426813 0.718493 1.451348
H -1.811974 2.152696 -2.469098
H -2.355251 3.706404 -1.758190
H -3.435458 2.273752 -1.740138
H -2.756744 3.861672 0.834288
H -2.500569 2.404280 1.848757
H -3.814490 2.424965 0.642665
H -0.870463 0.274391 -0.034001
H 3.922716 -1.876078 -0.513091
H -1.464025 -1.854509 0.130534
H 1.223412 -0.911946 0.714578
H -4.460488 -2.342477 -0.539895
H -0.394403 -3.859218 0.517935
H -3.903089 -5.786345 -0.305115


