%chk=000197309.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197309

0 1
O 2.093758 -2.379855 -0.287996
O 4.476144 -1.804578 -1.294998
O 4.920671 0.493962 1.423404
C 3.130860 -2.069077 0.697062
C 1.834519 -1.296936 0.674493
C 4.366450 -1.435261 0.073984
C 1.796183 0.088925 0.131746
C 4.348918 0.116052 0.165398
C 2.997329 0.770573 -0.020391
C 0.546266 0.749205 -0.110509
C 3.000325 2.158822 -0.320309
C 0.572995 2.158442 -0.272752
C -0.745537 0.080392 -0.174146
C 1.812966 2.844866 -0.406674
C -1.925684 0.837377 -0.069488
C -0.657239 2.907566 -0.263045
C -1.850631 2.275545 -0.105612
C -0.866286 -1.333386 -0.422831
C -3.214359 0.176229 0.019270
C -3.281765 -1.230257 -0.121570
C -2.073848 -1.963025 -0.391671
C -4.424071 0.894765 0.253029
C -4.538867 -1.894329 -0.020796
C -5.629650 0.236405 0.348806
C -5.689412 -1.175042 0.211332
H 3.300369 -2.863409 1.427457
H 1.046452 -1.543828 1.399807
H 5.311606 -1.819649 0.530304
H 5.093636 0.513598 -0.573335
H 3.954742 2.673811 -0.443973
H 3.571135 -1.841751 -1.712797
H 1.805072 3.921596 -0.579122
H 4.265513 0.407242 2.147088
H -0.601224 3.991616 -0.361084
H -2.780881 2.844643 -0.040574
H 0.024265 -1.901445 -0.705878
H -2.151104 -3.032928 -0.587603
H -4.381455 1.979801 0.360964
H -4.571690 -2.977634 -0.129592
H -6.550464 0.788504 0.531538
H -6.653607 -1.674747 0.291362


%chk=000197309-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197309

0 1
O 2.144235 -2.473986 -0.407203
O 4.405763 -1.555181 -1.553016
O 4.832539 0.309996 1.668219
C 3.233664 -2.078437 0.566888
C 1.938812 -1.328968 0.626506
C 4.430653 -1.380451 -0.101782
C 1.843129 0.073399 0.120489
C 4.406348 0.124359 0.251988
C 3.062082 0.790718 -0.006108
C 0.570716 0.734608 -0.090931
C 3.051019 2.182674 -0.301168
C 0.597885 2.169710 -0.276364
C -0.736491 0.063238 -0.105012
C 1.840403 2.863870 -0.398932
C -1.943330 0.849028 -0.058985
C -0.632029 2.913421 -0.313409
C -1.851473 2.283560 -0.156591
C -0.871579 -1.371798 -0.236309
C -3.248813 0.194973 0.025771
C -3.323429 -1.244612 -0.036211
C -2.109514 -1.993722 -0.208701
C -4.476377 0.919287 0.172445
C -4.592258 -1.901353 0.040194
C -5.707636 0.257985 0.253381
C -5.771597 -1.165588 0.184120
H 3.443185 -2.842750 1.322915
H 1.208098 -1.621623 1.389918
H 5.377897 -1.806344 0.268676
H 5.194484 0.624323 -0.333545
H 4.004107 2.712795 -0.400978
H 3.480163 -1.844580 -1.792260
H 1.822420 3.946766 -0.566400
H 4.031321 0.269426 2.251155
H -0.580203 3.999881 -0.447694
H -2.762544 2.886996 -0.156221
H 0.006261 -1.987038 -0.433785
H -2.175513 -3.080830 -0.334191
H -4.467871 2.010923 0.238932
H -4.622493 -2.995967 -0.014626
H -6.629538 0.837485 0.373441
H -6.740096 -1.673392 0.245685


