%chk=000228012.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228012

0 1
O -1.667032 1.340060 -0.720805
O 2.721782 1.363719 -0.000376
O -3.379705 -0.118289 -0.514144
O 1.856291 -0.274380 -1.304692
N -1.587615 -0.868834 2.915933
C -1.051069 -0.936249 -0.549411
C -0.165715 -0.798351 0.717193
C 0.678640 0.488340 0.704205
C -1.625836 -2.344379 -0.671440
C -2.191420 0.071466 -0.571820
C 1.770800 0.430927 -0.325514
C -0.967434 -0.834890 1.942959
C -2.596559 2.471887 -0.732475
C 3.887199 1.500677 -0.879063
C -3.018388 2.799810 0.683509
C 4.859192 0.369192 -0.624415
H -0.388554 -0.731078 -1.443329
H 0.533029 -1.686958 0.731343
H 1.108683 0.698464 1.708850
H 0.028680 1.378681 0.483115
H -2.265484 -2.604623 0.184409
H -2.256981 -2.441462 -1.566897
H -0.834926 -3.099587 -0.747766
H -3.452172 2.214942 -1.382803
H -1.968611 3.253016 -1.197617
H 3.534222 1.534021 -1.925021
H 4.268293 2.487581 -0.557489
H -3.628596 3.710653 0.719284
H -3.622614 1.987436 1.118023
H -2.157036 2.949570 1.345507
H 5.806684 0.528190 -1.153742
H 5.088353 0.264083 0.443931
H 4.449799 -0.593436 -0.966743


%chk=000228012-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228012

0 1
O -1.721387 1.452135 -0.647460
O 2.725423 1.316338 -0.233597
O -3.459040 -0.102086 -0.670841
O 2.096148 -0.803359 -0.980393
N -1.742866 -0.862660 2.878581
C -1.107361 -0.891770 -0.633136
C -0.231068 -0.822786 0.677316
C 0.757480 0.373561 0.738629
C -1.683841 -2.306695 -0.836286
C -2.234845 0.147471 -0.645009
C 1.901380 0.198281 -0.248850
C -1.070601 -0.851084 1.892787
C -2.727182 2.565674 -0.605885
C 3.926070 1.284198 -1.132498
C -3.133703 2.872121 0.837699
C 5.104847 0.600140 -0.435981
H -0.416402 -0.651647 -1.462819
H 0.374342 -1.751430 0.668344
H 1.192303 0.465232 1.751326
H 0.234560 1.320402 0.523934
H -2.338494 -2.593962 0.004611
H -2.291282 -2.353624 -1.755230
H -0.862727 -3.040149 -0.920903
H -3.597657 2.267033 -1.215394
H -2.198322 3.407268 -1.081135
H 3.649605 0.762525 -2.065328
H 4.122429 2.349182 -1.333166
H -3.828123 3.732645 0.852575
H -3.646274 2.008996 1.293868
H -2.254540 3.129290 1.453601
H 6.002540 0.664509 -1.078450
H 5.334080 1.090689 0.525552
H 4.890408 -0.466238 -0.253765


