%chk=000228987.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228987

0 1
O 5.145593 1.433435 0.578010
C -3.435198 -0.081602 0.231979
C -1.937166 0.057203 -0.051076
C -3.648094 -1.264245 1.199246
C -4.165829 -0.347999 -1.100124
C -4.033739 1.185310 0.872170
C 0.829291 0.228650 -0.611709
C 2.301221 0.325589 -0.909822
C -1.247718 -1.024180 -0.628663
C -1.216890 1.223270 0.240382
C 3.145530 0.126030 0.364668
C 0.116853 -0.943795 -0.905783
C 0.150709 1.310583 -0.035714
C 3.092456 -1.310212 0.881538
C 4.596506 0.490618 0.055607
H -4.704586 -1.377209 1.462258
H -3.318178 -2.213057 0.765262
H -3.088713 -1.118289 2.129712
H -3.840608 -1.283337 -1.565839
H -5.248236 -0.417036 -0.953050
H -3.979662 0.456692 -1.819803
H -5.104797 1.058847 1.064853
H -3.560012 1.416432 1.832038
H -3.926050 2.058301 0.219894
H 2.524487 1.318862 -1.354927
H 2.591671 -0.416105 -1.680664
H -1.783907 -1.942561 -0.866048
H -1.711060 2.084622 0.687868
H 2.763255 0.815160 1.162089
H 0.627527 -1.794499 -1.351839
H 0.688423 2.227343 0.200738
H 3.466657 -2.033614 0.149329
H 2.056284 -1.595873 1.114841
H 3.674538 -1.428260 1.803336
H 5.114040 -0.156276 -0.669456


%chk=000228987-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228987

0 1
O 5.389593 1.367547 0.421682
C -3.470855 -0.096700 0.231228
C -1.958460 0.044917 -0.063047
C -3.701331 -1.314962 1.176169
C -4.236381 -0.331815 -1.106374
C -4.060227 1.164690 0.913744
C 0.862621 0.238270 -0.644913
C 2.354533 0.343419 -0.924095
C -1.251862 -1.023811 -0.679063
C -1.217129 1.213745 0.249750
C 3.224465 0.179212 0.373953
C 0.126601 -0.931329 -0.963211
C 0.163417 1.308342 -0.034828
C 3.075614 -1.232850 0.993598
C 4.681557 0.418633 0.009080
H -4.780051 -1.433299 1.391313
H -3.341231 -2.256306 0.723879
H -3.169995 -1.174841 2.135325
H -3.882683 -1.241939 -1.622935
H -5.319001 -0.449971 -0.911722
H -4.098018 0.522816 -1.793593
H -5.137824 1.011010 1.106206
H -3.573272 1.371392 1.884785
H -3.959851 2.062015 0.275371
H 2.584133 1.329599 -1.372598
H 2.660390 -0.428255 -1.657779
H -1.783383 -1.945087 -0.945621
H -1.714536 2.068284 0.718038
H 2.920955 0.949353 1.107012
H 0.638469 -1.775449 -1.442407
H 0.702198 2.231523 0.215192
H 3.424611 -2.014461 0.291241
H 2.016415 -1.435389 1.227742
H 3.660813 -1.322334 1.925943
H 5.104304 -0.347170 -0.697765


