%chk=000218696.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218696

0 1
O 3.614860 -1.620570 -0.571440
O 5.539909 0.182487 -0.796558
N -4.774374 0.479605 0.095504
C -2.904232 -0.905162 0.929729
C -1.517307 -1.375539 0.584427
C -0.437861 -0.449542 0.452627
C 0.860500 -0.915984 0.117819
C -3.637943 -0.400509 -0.329588
C 1.953198 0.043976 -0.017832
C 1.696488 1.426934 0.191557
C -0.652773 0.967053 0.658739
C -1.293378 -2.729657 0.384228
C 1.048446 -2.309347 -0.075220
C 0.359082 1.858651 0.535199
C -5.160422 1.446091 -0.988232
C -0.004470 -3.194279 0.055403
C 3.291532 -0.305677 -0.352560
C -5.956724 -0.335829 0.505501
C 2.722504 2.398726 0.072879
C 4.289076 0.677318 -0.463910
C 4.017269 2.037562 -0.252774
C -4.098083 2.539248 -1.114571
H -2.868782 -0.092552 1.689493
H -3.487389 -1.713011 1.412968
H -2.931865 0.194411 -0.953072
H -3.954508 -1.260646 -0.955243
H -1.662004 1.299854 0.920939
H -2.107627 -3.445338 0.478667
H 2.037478 -2.700290 -0.331127
H 0.194190 2.924002 0.692993
H -5.322271 0.952909 -1.970636
H -6.129656 1.913388 -0.703670
H 0.154308 -4.261406 -0.095559
H -5.661844 -1.014221 1.321949
H -6.404591 -0.938920 -0.297585
H -6.730672 0.334925 0.912081
H 2.479064 3.447026 0.243349
H 4.805575 2.779648 -0.344159
H -3.900979 3.006736 -0.140444
H -3.142127 2.142853 -1.477955
H -4.421529 3.323439 -1.806151
H 4.587693 -1.716433 -0.793227
H 6.207337 0.905667 -0.852136


%chk=000218696-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218696

0 1
O 3.745609 -1.685727 -0.644616
O 5.655395 0.065933 -0.836276
N -4.867714 0.508667 0.072016
C -2.909485 -0.833604 0.953716
C -1.510164 -1.333906 0.618458
C -0.391880 -0.431653 0.496278
C 0.916940 -0.934276 0.125051
C -3.619039 -0.210836 -0.281123
C 2.040750 0.005924 0.000778
C 1.814763 1.415310 0.258977
C -0.561078 0.984620 0.746330
C -1.310705 -2.705033 0.384527
C 1.061104 -2.339844 -0.105835
C 0.495203 1.863274 0.634445
C -5.356683 1.383136 -1.029488
C -0.032645 -3.205285 0.024788
C 3.376703 -0.361415 -0.364387
C -5.927320 -0.409268 0.545422
C 2.869641 2.369163 0.153301
C 4.398856 0.610069 -0.461498
C 4.165035 1.977472 -0.206637
C -4.471228 2.621420 -1.266375
H -2.896905 -0.070714 1.754051
H -3.504637 -1.683070 1.334599
H -2.928112 0.508945 -0.751929
H -3.806222 -1.019406 -1.035794
H -1.545254 1.361491 1.039697
H -2.158384 -3.394235 0.483539
H 2.037688 -2.733378 -0.384569
H 0.352035 2.931952 0.833288
H -5.471052 0.812827 -1.988304
H -6.369699 1.726360 -0.744524
H 0.102341 -4.278188 -0.152459
H -5.593035 -0.947245 1.448708
H -6.223889 -1.171710 -0.220526
H -6.825863 0.172974 0.816755
H 2.651712 3.422332 0.358706
H 4.976834 2.710183 -0.289215
H -4.352210 3.186215 -0.324934
H -3.465982 2.357217 -1.640175
H -4.939029 3.283687 -2.018397
H 4.715684 -1.688763 -0.872006
H 6.357018 0.755984 -0.891962


