%chk=000221727.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221727

0 1
O -2.485020 -1.245136 0.160295
O -2.354239 0.402185 -1.381310
C 1.797897 -1.985584 -0.133762
C 0.406858 -1.626329 -0.696189
C 2.886180 -1.081130 -0.752334
C 1.803212 -1.919843 1.408445
C -0.647086 -2.691526 -0.372489
C 2.696090 0.412869 -0.460988
C -2.046092 -2.262350 -0.820709
C 3.866781 1.246598 -1.000380
C 3.008733 -2.626316 2.022703
C -3.087766 -3.362771 -0.703304
C 3.683481 2.733054 -0.701382
C -2.902682 0.918893 0.953659
C -2.554223 0.065670 -0.235945
C -1.679744 1.726995 1.410628
C -1.297781 2.820231 0.405028
C 0.025544 3.497528 0.784122
C 0.364197 4.638879 -0.172358
H 2.033175 -3.037003 -0.437071
H 0.474669 -1.487187 -1.793054
H 0.080483 -0.645371 -0.296445
H 3.875197 -1.408476 -0.374975
H 2.915307 -1.244255 -1.846910
H 0.869935 -2.374955 1.799275
H 1.780156 -0.861869 1.737384
H -0.380703 -3.653145 -0.850838
H -0.656286 -2.888365 0.721368
H 1.747497 0.769684 -0.907600
H 2.592971 0.570827 0.631055
H -2.043433 -1.794888 -1.831998
H 3.964007 1.094740 -2.093176
H 4.818589 0.891515 -0.559786
H 2.981756 -2.574273 3.116748
H 3.043221 -3.685440 1.744650
H 3.951118 -2.170262 1.696559
H -2.853973 -4.210072 -1.357073
H -4.084664 -2.992829 -0.976227
H -3.162235 -3.738880 0.325554
H 4.510037 3.324380 -1.109949
H 3.641653 2.925875 0.376386
H 2.754600 3.119954 -1.137996
H -3.272282 0.283710 1.787346
H -3.739624 1.595354 0.679766
H -0.822791 1.043407 1.578805
H -1.898824 2.181531 2.397192
H -2.105457 3.573884 0.340059
H -1.221114 2.387052 -0.615951
H -0.027676 3.882986 1.820798
H 0.845530 2.751261 0.777457
H 0.429759 4.288650 -1.209594
H -0.395512 5.428354 -0.144447
H 1.325574 5.098284 0.082361


%chk=000221727-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221727

0 1
O -2.351344 -0.988354 0.303769
O -3.797080 -0.198084 -1.349899
C 1.971920 -1.905591 -0.089924
C 0.515677 -1.468254 -0.417070
C 3.008915 -0.936951 -0.730543
C 2.182798 -2.097320 1.439184
C -0.548034 -2.553626 -0.136277
C 3.038927 0.500928 -0.159735
C -1.964979 -2.155116 -0.573090
C 4.090539 1.391512 -0.861756
C 3.590589 -2.595526 1.834466
C -3.009091 -3.265396 -0.396068
C 4.160177 2.820074 -0.280557
C -3.570514 1.023926 0.791237
C -3.284081 -0.083443 -0.211030
C -2.306798 1.831452 1.192209
C -1.646163 2.567931 0.005676
C -0.427693 3.417495 0.432739
C 0.217498 4.177438 -0.746139
H 2.132440 -2.898889 -0.568624
H 0.462535 -1.191458 -1.491496
H 0.256549 -0.556964 0.156470
H 4.023566 -1.373850 -0.632615
H 2.806625 -0.881435 -1.821084
H 1.436034 -2.824200 1.814366
H 1.966681 -1.142597 1.960045
H -0.279476 -3.483045 -0.679966
H -0.574457 -2.807851 0.940487
H 2.040913 0.975014 -0.260930
H 3.263018 0.472701 0.926208
H -1.973237 -1.788567 -1.618010
H 3.859658 1.441339 -1.945723
H 5.086258 0.908647 -0.779699
H 3.646213 -2.803931 2.918990
H 3.845924 -3.530056 1.298869
H 4.371925 -1.850313 1.598914
H -2.744023 -4.137371 -1.021971
H -4.008209 -2.914627 -0.704500
H -3.053532 -3.594844 0.657387
H 4.918324 3.433643 -0.801499
H 4.423210 2.797948 0.794126
H 3.185131 3.333958 -0.376608
H -4.011127 0.563658 1.696363
H -4.327399 1.686760 0.337415
H -1.576054 1.145526 1.661569
H -2.599394 2.570728 1.964496
H -2.395015 3.222032 -0.487316
H -1.327443 1.830931 -0.760193
H -0.744190 4.141542 1.211454
H 0.327842 2.759172 0.909638
H 0.579656 3.475408 -1.521188
H -0.512610 4.856223 -1.225973
H 1.077401 4.787766 -0.413192


