%chk=000195547.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195547

0 1
O -3.487637 0.229884 1.387656
O -1.713300 0.822143 -0.876599
O -0.359686 0.308922 2.011393
O -1.287769 5.843587 1.344539
N -2.510138 -2.849406 -0.386521
C -1.273689 -3.609599 -0.772549
C -0.282387 -2.671661 -1.513759
C -2.301510 -1.739130 0.583074
C -1.732839 -4.762864 -1.686802
C -0.556547 -4.205609 0.463020
C -3.343823 -0.644029 0.268737
C -0.840208 -2.071873 -2.799979
C -2.992983 0.145056 -1.006978
C -1.710191 2.069707 -0.274659
C -0.736855 2.253044 0.717939
C 1.412623 0.926806 0.504456
C 2.225604 -0.241956 1.070297
C 0.074282 1.075945 1.179049
C -2.537200 3.127507 -0.701779
C -0.556140 3.519680 1.285437
C 3.502391 -0.429778 0.297260
C -2.374715 4.383002 -0.135494
C -1.380781 4.562534 0.851003
C 3.488653 -1.114350 -0.928286
C 4.711982 0.079543 0.792263
C 4.673656 -1.287587 -1.647285
C 5.895078 -0.097391 0.069066
C 5.879117 -0.780254 -1.150825
H 0.643112 -3.236092 -1.735423
H 0.013406 -1.847770 -0.830002
H -3.217813 -3.493751 -0.017399
H -2.407217 -2.050782 1.644400
H -1.275798 -1.309685 0.488717
H -2.299101 -5.522926 -1.140711
H -0.875754 -5.260833 -2.150483
H -2.375340 -4.392143 -2.495763
H -1.227659 -4.833323 1.056494
H -0.167709 -3.427940 1.127749
H 0.290365 -4.832637 0.167766
H -4.370676 -1.072077 0.163493
H -1.048728 -2.837679 -3.553697
H -0.141535 -1.350750 -3.236382
H -1.788273 -1.538530 -2.601186
H -2.765518 -0.558589 -1.848947
H -3.782781 0.856716 -1.284007
H -2.602623 0.514376 1.732947
H 1.989692 1.872519 0.575478
H 1.241629 0.785505 -0.589203
H 1.615004 -1.171030 1.048276
H 2.430212 -0.071384 2.147965
H -3.290554 2.954025 -1.469177
H 0.194852 3.678026 2.054207
H -2.991678 5.231746 -0.431052
H 2.553446 -1.511230 -1.319865
H 4.732813 0.611699 1.740882
H 4.658473 -1.819724 -2.597167
H 6.831866 0.298082 0.458419
H 6.800832 -0.917278 -1.711917
H -0.611033 5.917288 2.060713


%chk=000195547-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195547

0 1
O -1.954045 -1.011483 2.481727
O -1.820349 0.202529 -0.029534
O 0.480236 0.093796 1.465712
O -0.510601 5.573857 -1.026931
N -3.318181 -3.158578 -0.303473
C -2.895768 -4.181349 -1.317162
C -1.838689 -3.577140 -2.294275
C -2.303890 -2.640208 0.641990
C -4.178397 -4.584997 -2.085554
C -2.281137 -5.450671 -0.651036
C -2.855600 -1.411522 1.409856
C -2.241748 -2.261659 -2.990662
C -3.152394 -0.226590 0.474676
C -1.535062 1.551454 -0.182663
C -0.194310 1.978957 0.083161
C 2.300505 1.399571 0.543560
C 3.234700 0.267885 1.039309
C 0.811208 1.080402 0.737675
C -2.491239 2.474829 -0.679732
C 0.158395 3.324589 -0.227715
C 4.699046 0.641210 0.860542
C -2.132630 3.807480 -0.940200
C -0.798984 4.230047 -0.724703
C 5.372620 0.379271 -0.361077
C 5.414427 1.293796 1.898039
C 6.720975 0.761133 -0.543923
C 6.762914 1.678309 1.720717
C 7.421092 1.414710 0.496882
H -1.618502 -4.352393 -3.055718
H -0.890252 -3.419028 -1.742608
H -4.148092 -3.500794 0.205131
H -1.968292 -3.374521 1.408629
H -1.410860 -2.322442 0.075325
H -4.905979 -5.069373 -1.404832
H -3.944160 -5.302428 -2.892620
H -4.665579 -3.699440 -2.527905
H -3.008320 -5.924700 0.035790
H -1.375850 -5.195757 -0.069858
H -1.993390 -6.198588 -1.413983
H -3.802961 -1.693319 1.912700
H -3.143987 -2.388999 -3.615882
H -1.426158 -1.906137 -3.647851
H -2.450592 -1.475470 -2.245828
H -3.782250 -0.547598 -0.374924
H -3.617670 0.602953 1.038702
H -1.112629 -0.634877 2.080019
H 2.541389 2.331430 1.096931
H 2.493679 1.623587 -0.523551
H 2.995912 -0.656945 0.482601
H 3.004632 0.059791 2.098927
H -3.511013 2.136075 -0.886824
H 1.182460 3.670064 -0.043583
H -2.860407 4.528001 -1.324488
H 4.839204 -0.136665 -1.169819
H 4.913336 1.491030 2.854303
H 7.226344 0.544299 -1.492083
H 7.301059 2.175225 2.536131
H 8.467852 1.707940 0.358617
H 0.438878 5.785150 -0.847859


