%chk=000194451.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194451

0 1
O 2.623638 1.639605 0.950581
O 3.342194 -0.283799 -1.150762
N -3.024604 1.060029 0.011237
N -3.699704 -1.169246 0.104295
C -1.706287 -0.545680 1.468487
C -2.821544 -0.287589 0.504449
C -4.152243 0.962647 -0.977557
C -4.631545 -0.516224 -0.854705
C -0.365294 -0.453082 0.791919
C 0.520854 0.578434 1.126274
C -0.010189 -1.402847 -0.180168
C 1.772112 0.643071 0.499756
C 2.138172 -0.331670 -0.454462
C 1.239006 -1.348349 -0.798656
C 3.142015 2.516375 -0.087747
C 4.500269 -0.577386 -0.319702
H -1.831272 -1.558523 1.924158
H -1.785907 0.165013 2.322675
H -3.844669 1.221098 -2.005364
H -4.941781 1.675546 -0.666174
H -5.665507 -0.583745 -0.461758
H -4.606939 -1.058624 -1.819236
H -2.196851 1.548826 -0.322365
H 0.263989 1.332881 1.868902
H -0.715430 -2.191900 -0.447298
H 1.531141 -2.085415 -1.546585
H 2.331953 3.158313 -0.443988
H 3.582928 1.940000 -0.909617
H 3.899202 3.092721 0.454477
H 4.457515 -1.619880 0.006855
H 4.542071 0.106403 0.535172
H 5.331307 -0.411305 -1.013093


%chk=000194451-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194451

0 1
O 2.828596 1.525066 1.096499
O 3.439495 -0.220752 -1.183336
N -2.981273 0.813382 -0.361940
N -3.946996 -1.107440 0.471850
C -1.727550 -0.460808 1.428453
C -2.911292 -0.290566 0.500199
C -4.168662 0.671907 -1.237590
C -4.909935 -0.528140 -0.532787
C -0.372429 -0.362540 0.729649
C 0.617205 0.537971 1.189742
C -0.076554 -1.181761 -0.391990
C 1.881676 0.616948 0.565356
C 2.185119 -0.244687 -0.527003
C 1.190636 -1.124907 -1.007922
C 3.275880 2.578367 0.155129
C 4.583162 -0.631709 -0.333918
H -1.851397 -1.446131 1.911403
H -1.789726 0.302016 2.228113
H -3.876967 0.426693 -2.279449
H -4.777796 1.593094 -1.252753
H -5.814581 -0.182443 0.002018
H -5.220105 -1.309982 -1.247346
H -2.160264 1.358439 -0.623004
H 0.425495 1.200961 2.041023
H -0.837052 -1.876611 -0.767042
H 1.441056 -1.767140 -1.858674
H 2.426781 3.238633 -0.105585
H 3.701265 2.135733 -0.763272
H 4.041186 3.151624 0.700138
H 4.468204 -1.689456 -0.030459
H 4.660529 0.008358 0.563516
H 5.474896 -0.518421 -0.969020


