%chk=000294676.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294676

0 1
O 0.320263 0.420573 0.096422
O 2.032963 -3.371744 0.419908
O 0.044375 -2.346473 0.136032
N 2.423114 1.319905 -0.388152
C -4.052544 2.128895 0.462802
C -4.647877 0.960581 -0.350384
C -2.631911 2.423624 0.050283
C -4.352389 -0.367327 0.278449
C -1.625473 1.628355 0.441401
C -2.442778 3.647796 -0.789462
C -0.194062 1.820692 0.091602
C -3.416951 -1.235368 -0.139748
C 1.626734 0.227693 -0.138251
C -3.198412 -2.541634 0.564599
C -2.504055 -1.006799 -1.301100
C 2.122127 -1.105502 -0.107628
C 3.748003 1.116767 -0.610799
C 3.502862 -1.273867 -0.335224
C 4.317981 -0.179249 -0.587438
C 4.582606 2.321343 -0.881179
C 1.250120 -2.253513 0.145756
C 1.315494 -4.605619 0.678675
H -4.690409 3.025206 0.342275
H -4.091472 1.887063 1.545354
H -4.269463 0.999398 -1.393496
H -5.746242 1.091571 -0.426576
H -4.969666 -0.593754 1.145479
H -1.819312 0.729072 1.040911
H -1.493245 3.646037 -1.340663
H -3.242647 3.751811 -1.535807
H -2.456958 4.553825 -0.167555
H -0.011623 2.234607 -0.915354
H 0.370176 2.388351 0.853023
H -3.539684 -3.382094 -0.052108
H -3.714599 -2.603389 1.527882
H -2.121228 -2.699742 0.754827
H -1.452328 -0.968564 -0.949054
H -2.703126 -0.063474 -1.823378
H -2.563864 -1.821996 -2.030742
H 3.921093 -2.287047 -0.310074
H 5.381380 -0.307868 -0.764906
H 5.064041 2.260037 -1.868663
H 3.990755 3.252356 -0.865160
H 5.379417 2.431251 -0.130247
H 2.125257 -5.319409 0.859860
H 0.675613 -4.480128 1.558004
H 0.717940 -4.874949 -0.197894


%chk=000294676-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000294676

0 1
O 0.384357 0.481040 0.162039
O 2.144132 -3.443002 0.108460
O 0.112180 -2.309853 0.087351
N 2.535379 1.368528 -0.150945
C -3.995710 2.285546 0.436473
C -4.799963 1.082382 -0.176504
C -2.566478 2.378060 -0.084927
C -4.429080 -0.250314 0.442780
C -1.528248 1.885483 0.652050
C -2.426707 3.028934 -1.450088
C -0.075698 1.920090 0.286722
C -3.606081 -1.211428 -0.068951
C 1.730944 0.276560 -0.028684
C -3.307576 -2.482753 0.709195
C -2.886105 -1.114763 -1.401543
C 2.233329 -1.068871 -0.082700
C 3.878436 1.207169 -0.332706
C 3.633746 -1.211517 -0.265926
C 4.464254 -0.083951 -0.393110
C 4.710261 2.464109 -0.467190
C 1.363867 -2.265681 0.043230
C 1.370677 -4.698318 0.220075
H -4.536308 3.224837 0.197276
H -3.996900 2.178512 1.537448
H -4.660313 1.067943 -1.273668
H -5.877367 1.276925 -0.001415
H -4.862134 -0.431550 1.439867
H -1.751912 1.418033 1.620393
H -1.424500 2.913181 -1.893498
H -3.159555 2.596319 -2.158111
H -2.649213 4.112790 -1.389766
H 0.139671 2.433186 -0.664599
H 0.545690 2.389554 1.071661
H -3.647943 -3.378379 0.150272
H -3.801867 -2.486899 1.696976
H -2.215684 -2.590588 0.851313
H -1.794443 -1.081675 -1.222234
H -3.167977 -0.223565 -1.986780
H -3.087036 -2.013197 -2.019014
H 4.046648 -2.222254 -0.305154
H 5.543017 -0.192071 -0.537418
H 5.230172 2.493472 -1.442950
H 4.065537 3.351946 -0.382062
H 5.488338 2.511230 0.317340
H 2.129028 -5.493635 0.250457
H 0.762620 -4.695153 1.140708
H 0.702511 -4.819111 -0.649638


