%chk=000194878.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194878

0 1
O -0.213530 0.981185 0.108199
O -2.687437 -2.051425 -1.038520
O 3.342195 -1.550432 0.810760
C -2.499425 0.295001 -0.612476
C -1.298384 1.212167 -0.870901
C 0.049860 -0.311175 0.472703
C 1.323226 -0.377671 1.273510
C -2.016321 -1.165942 -0.557367
C -0.730904 -1.367700 0.136199
C -3.244359 0.597209 0.685942
C -1.570514 2.696794 -0.725268
C 2.523879 -0.770681 0.387085
C 1.648618 0.934302 1.987213
C -0.368527 -2.773835 0.478165
C 2.583110 -0.137384 -0.982664
C 4.008113 -0.062348 -1.513101
H -3.214545 0.396464 -1.468951
H -0.834875 0.972142 -1.856940
H 1.204105 -1.183090 2.053075
H -2.560895 0.624469 1.544694
H -3.758096 1.564009 0.637303
H -4.007995 -0.166052 0.891088
H -1.800565 2.962739 0.316692
H -0.694474 3.292830 -1.013557
H -2.416851 3.013354 -1.346308
H 1.732261 1.772665 1.281934
H 0.856356 1.198870 2.699518
H 2.589466 0.860269 2.547124
H -0.503442 -2.977777 1.549343
H 0.668990 -3.015838 0.213860
H -1.012188 -3.488155 -0.065675
H 2.118003 0.871543 -0.966818
H 1.949050 -0.741344 -1.669954
H 4.029072 0.249440 -2.562963
H 4.616573 0.647617 -0.939718
H 4.509650 -1.039621 -1.442027


%chk=000194878-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194878

0 1
O -0.225527 0.982115 0.170383
O -2.872945 -2.106063 -0.745614
O 3.631008 -1.180237 0.868059
C -2.510819 0.307462 -0.567405
C -1.273906 1.165774 -0.892870
C 0.058671 -0.338745 0.519583
C 1.349348 -0.460201 1.299302
C -2.076073 -1.165905 -0.429941
C -0.749675 -1.411496 0.172181
C -3.271890 0.741883 0.712527
C -1.502145 2.670681 -0.998826
C 2.623126 -0.588708 0.404602
C 1.581120 0.724693 2.284739
C -0.363374 -2.848013 0.475174
C 2.613202 0.051868 -0.979611
C 3.976251 0.013026 -1.689383
H -3.204504 0.359944 -1.428169
H -0.815291 0.773784 -1.827958
H 1.315531 -1.392355 1.890292
H -2.597350 0.782036 1.586461
H -3.733200 1.737235 0.585729
H -4.077387 0.018989 0.926894
H -1.870364 3.085014 -0.045660
H -0.561781 3.186298 -1.258982
H -2.245481 2.886535 -1.787116
H 1.643409 1.687210 1.751311
H 0.746481 0.789243 3.004224
H 2.517081 0.556396 2.843762
H -0.370701 -3.062001 1.561338
H 0.639285 -3.107277 0.090363
H -1.104146 -3.513325 0.001204
H 2.232041 1.087858 -0.876554
H 1.839680 -0.475775 -1.578102
H 3.905023 0.467633 -2.693428
H 4.738997 0.561446 -1.110006
H 4.335506 -1.024422 -1.797306


