%chk=000180221.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180221

0 1
O 2.540917 1.187463 1.683891
O -2.875154 -2.211883 0.710948
O -1.162072 1.976795 -1.836839
O -2.420251 2.606946 -0.196532
N -1.422786 2.083993 -0.647026
C 1.152088 -0.493922 0.719248
C -0.031687 0.070170 -0.103595
C 1.617639 -1.864246 0.195256
C 2.379274 -1.764928 -1.131135
C -0.365010 1.531392 0.321435
C 2.329918 0.486914 0.718468
C 3.592667 -0.836786 -1.006468
C 3.181560 0.558535 -0.526695
C -1.239314 -0.803307 -0.006071
C -0.826206 1.679178 1.759815
C -2.179531 -1.012304 -1.089386
C -1.699484 -1.543006 1.057362
C -3.143242 -1.859606 -0.616987
H 0.820974 -0.615850 1.783248
H 0.285220 0.104000 -1.186694
H 0.743662 -2.536237 0.075847
H 2.261214 -2.342106 0.961129
H 1.703572 -1.403731 -1.931580
H 2.707178 -2.773427 -1.449907
H 0.544200 2.176341 0.159708
H 4.113425 -0.756428 -1.980573
H 4.331995 -1.270574 -0.303602
H 2.620065 1.090346 -1.322999
H 4.080271 1.181035 -0.331893
H 0.005169 1.480093 2.454355
H -1.187783 2.697452 1.971362
H -1.653532 1.000386 2.007923
H -2.108999 -0.559704 -2.062763
H -1.388293 -1.731447 2.059590
H -4.033364 -2.308646 -0.998544


%chk=000180221-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180221

0 1
O 2.667514 1.137545 1.774490
O -2.916109 -2.230693 0.704726
O -0.977853 2.109250 -1.889391
O -2.495018 2.553268 -0.251874
N -1.360724 2.118128 -0.655608
C 1.173227 -0.503926 0.750757
C -0.033154 0.069601 -0.074662
C 1.647938 -1.889799 0.211671
C 2.383488 -1.793396 -1.144917
C -0.352863 1.543832 0.374393
C 2.361662 0.473163 0.745593
C 3.590623 -0.832462 -1.057661
C 3.154974 0.574185 -0.553555
C -1.255985 -0.823005 -0.013232
C -0.859084 1.725267 1.803502
C -2.189570 -1.049996 -1.106132
C -1.737805 -1.555035 1.063177
C -3.173473 -1.899050 -0.638325
H 0.857660 -0.613730 1.805513
H 0.272491 0.149620 -1.134237
H 0.777533 -2.566477 0.135964
H 2.335545 -2.332459 0.960126
H 1.688263 -1.450018 -1.936722
H 2.726096 -2.800998 -1.447321
H 0.550330 2.159347 0.201722
H 4.083285 -0.730549 -2.042413
H 4.344210 -1.248301 -0.359844
H 2.512115 1.042545 -1.328966
H 4.020842 1.238014 -0.389062
H -0.044908 1.466835 2.502439
H -1.145284 2.773804 1.985953
H -1.737143 1.091089 2.004770
H -2.126139 -0.619061 -2.104282
H -1.402013 -1.721876 2.082715
H -4.066369 -2.341758 -1.069012


