%chk=000176829.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176829

0 1
O 2.238268 -1.062766 -1.162565
O 3.059743 -0.787357 0.964351
O -3.362084 0.841759 0.436619
N 4.326323 -0.268880 -0.946242
C 5.614598 0.129632 -0.265485
C 6.595293 0.532201 -1.378539
C 5.330434 1.313523 0.667711
C 6.151173 -1.070494 0.526508
C 3.223455 -0.696992 -0.235140
C 0.933761 -1.392921 -0.613090
C 0.007685 -0.209178 -0.697389
C -1.256228 -0.313901 -0.096092
C 0.379297 0.962088 -1.366823
C -2.118232 0.781199 -0.189411
C -1.768598 1.970277 -0.850812
C -0.504988 2.046209 -1.433629
C -4.101756 -0.326734 0.633326
C -4.170041 -1.359175 -0.308209
C -4.859873 -0.325896 1.813856
C -5.031272 -2.428770 -0.046711
C -5.714563 -1.403956 2.045136
C -5.798889 -2.454813 1.122254
H 6.224946 1.375658 -1.972358
H 7.554449 0.845483 -0.947392
H 6.811252 -0.295712 -2.063003
H 4.597092 1.038709 1.443993
H 4.917843 2.173369 0.129941
H 6.237240 1.644211 1.182684
H 6.326857 -1.942332 -0.111580
H 7.093227 -0.829165 1.028241
H 5.438070 -1.378940 1.308027
H 4.292626 -0.283257 -1.963662
H 1.050265 -1.756883 0.430206
H 0.608153 -2.219292 -1.276058
H -1.549808 -1.209047 0.446394
H 1.362578 1.024239 -1.832770
H -2.472963 2.797476 -0.890102
H -0.203688 2.957515 -1.950957
H -3.582145 -1.322433 -1.221928
H -4.775067 0.502033 2.514191
H -5.105792 -3.245651 -0.764407
H -6.317476 -1.428471 2.952935
H -6.465764 -3.292164 1.315382


%chk=000176829-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176829

0 1
O 2.359237 -0.306971 -2.349029
O 1.962532 -1.445323 -0.313334
O -2.485488 1.081732 0.177354
N 3.855777 -0.078282 -0.658074
C 4.525912 -0.235206 0.670543
C 5.814327 0.619717 0.606441
C 3.592213 0.283390 1.795484
C 4.882745 -1.725967 0.907785
C 2.676036 -0.677005 -1.015109
C 1.044582 -0.817642 -2.852629
C -0.082436 0.154150 -2.566232
C -0.765573 0.096683 -1.325376
C -0.452317 1.127279 -3.528745
C -1.807833 1.014042 -1.065756
C -2.174807 1.993343 -2.015849
C -1.489342 2.045416 -3.248187
C -2.759458 -0.086451 0.935100
C -3.079922 -1.330322 0.342760
C -2.797986 0.085235 2.336184
C -3.428971 -2.415394 1.177113
C -3.153137 -1.007553 3.156355
C -3.466112 -2.262664 2.582802
H 5.577797 1.685721 0.428070
H 6.357508 0.548911 1.564018
H 6.490019 0.265773 -0.194923
H 2.654722 -0.296817 1.812942
H 3.345587 1.348820 1.637178
H 4.088962 0.180528 2.777283
H 5.554390 -2.097250 0.112658
H 5.394349 -1.841334 1.880535
H 3.968632 -2.342457 0.915145
H 4.287439 0.528052 -1.357711
H 0.861176 -1.800531 -2.384924
H 1.216359 -0.930233 -3.934824
H -0.459766 -0.639406 -0.574478
H 0.076130 1.169002 -4.488185
H -2.982491 2.690933 -1.775198
H -1.771568 2.799244 -3.991074
H -3.064989 -1.446944 -0.745201
H -2.552331 1.064676 2.757355
H -3.677976 -3.381004 0.723076
H -3.181499 -0.878049 4.243906
H -3.737028 -3.109440 3.222152


