%chk=000238863.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238863

0 1
O 1.181142 0.836840 2.199185
O 1.037724 -0.820097 -2.119800
O 1.029235 -4.350921 1.387693
O 2.429696 -2.653602 0.979444
O -5.901865 0.970869 0.981399
O -4.536752 0.618984 2.622099
N 0.824434 -0.182103 0.125493
N -4.828382 0.612118 1.437769
C -0.219751 -1.131357 0.586578
C -1.581531 -0.713385 0.055846
C 0.105524 -2.577952 0.165362
C 1.488096 0.729547 1.043611
C 1.400703 -0.137895 -1.193393
C 2.523666 1.422519 0.211950
C 2.472573 0.908543 -1.114999
C -2.543899 -0.250647 0.960721
C -1.887950 -0.776012 -1.312995
C 3.429462 2.398333 0.566505
C 3.327862 1.368591 -2.092370
C 1.321362 -3.114677 0.856213
C -3.805499 0.129647 0.480961
C -3.148843 -0.390340 -1.777621
C 4.308769 2.873921 -0.436571
C 4.259298 2.372367 -1.731461
C -4.120153 0.064939 -0.884548
H -0.224055 -1.075435 1.718587
H -0.774845 -3.234111 0.362247
H 0.271207 -2.639094 -0.941227
H -2.329876 -0.176555 2.034471
H -1.127655 -1.120763 -2.026592
H 3.474360 2.792838 1.582911
H 3.295231 0.975382 -3.109453
H -3.374063 -0.442939 -2.844118
H 5.035460 3.646153 -0.176958
H 4.947193 2.750131 -2.490231
H -5.112962 0.370758 -1.232208
H 1.807585 -4.770195 1.845699


%chk=000238863-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238863

0 1
O 1.000639 1.002857 2.148599
O 1.186505 -0.983559 -2.123372
O 1.497199 -4.482430 0.667822
O 2.083392 -2.479900 1.687238
O -5.998624 1.064967 0.994319
O -4.517550 0.761713 2.701018
N 0.840066 -0.224078 0.114101
N -4.848052 0.703076 1.454869
C -0.238989 -1.126454 0.583338
C -1.615491 -0.696088 0.060781
C 0.061511 -2.608653 0.254854
C 1.399725 0.774342 0.983833
C 1.478552 -0.230262 -1.155076
C 2.483740 1.433426 0.194774
C 2.532775 0.830803 -1.085245
C -2.573106 -0.196867 0.970114
C -1.953020 -0.798314 -1.316124
C 3.357855 2.470435 0.551248
C 3.458151 1.245238 -2.054513
C 1.306488 -3.125015 0.950630
C -3.843750 0.184321 0.489263
C -3.230200 -0.406607 -1.774158
C 4.299257 2.896880 -0.421645
C 4.348438 2.293807 -1.704324
C -4.195243 0.089403 -0.873185
H -0.227893 -0.999792 1.682201
H -0.793719 -3.231537 0.575790
H 0.177492 -2.769204 -0.831321
H -2.350778 -0.090226 2.036299
H -1.207263 -1.170441 -2.027284
H 3.310625 2.927225 1.544531
H 3.487484 0.772359 -3.041025
H -3.474365 -0.488310 -2.837985
H 4.999681 3.703493 -0.180730
H 5.085993 2.644313 -2.434096
H -5.192319 0.398706 -1.196942
H 2.317296 -4.805227 1.131604


