%chk=000179580.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179580

0 1
O -0.435315 -0.908534 -0.014754
O -0.377493 1.458987 0.028487
C -1.300241 0.296805 0.004136
C -2.081797 0.365658 -1.299336
C -2.090891 0.318337 1.303759
C -3.281610 -0.587232 -1.282272
C -3.290434 -0.633150 1.243695
C -4.131139 -0.400112 -0.018422
C 0.875611 -0.473165 -0.002260
C 0.913689 0.954622 0.023830
C 2.019704 -1.235661 -0.012126
C 2.100890 1.648614 0.040594
C 3.252262 -0.525419 0.005089
C 3.282307 0.870131 0.030568
C 4.521957 -1.313857 -0.004770
H -1.411163 0.127190 -2.149895
H -2.411635 1.413432 -1.459277
H -2.421970 1.359648 1.499368
H -1.426183 0.049028 2.149752
H -2.919463 -1.634400 -1.338914
H -3.898652 -0.424936 -2.185847
H -3.913793 -0.503722 2.148240
H -2.928560 -1.681731 1.264768
H -4.567165 0.617082 -0.001454
H -4.987979 -1.099707 -0.034133
H 1.989960 -2.319626 -0.031933
H 2.137285 2.733193 0.060437
H 4.238027 1.390747 0.043371
H 5.417630 -0.679685 0.008848
H 4.583926 -1.978341 0.869291
H 4.589235 -1.947796 -0.900841


%chk=000179580-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179580

0 1
O -0.487539 -0.838285 -0.031493
O -0.350875 1.569525 0.015171
C -1.331511 0.419811 -0.005310
C -2.166241 0.486516 -1.285798
C -2.158129 0.437776 1.281967
C -3.256422 -0.613417 -1.293964
C -3.247027 -0.662553 1.256827
C -4.125243 -0.553858 -0.013805
C 0.860916 -0.415110 -0.011205
C 0.940669 0.994068 0.016968
C 1.999552 -1.221638 -0.017132
C 2.171684 1.651059 0.042001
C 3.275584 -0.577910 0.007979
C 3.340890 0.837266 0.037364
C 4.543496 -1.416870 0.003495
H -1.493570 0.394047 -2.157533
H -2.632364 1.489952 -1.325738
H -2.624882 1.438426 1.362354
H -1.479820 0.313374 2.145327
H -2.766522 -1.604261 -1.358594
H -3.884744 -0.498900 -2.197055
H -3.868854 -0.583467 2.168184
H -2.756318 -1.654902 1.279530
H -4.687967 0.402749 0.006667
H -4.873541 -1.368522 -0.027147
H 1.916388 -2.312880 -0.039696
H 2.234122 2.742289 0.064471
H 4.321665 1.325626 0.057423
H 5.444012 -0.779300 0.025989
H 4.585662 -2.090637 0.880273
H 4.603927 -2.053573 -0.899522


