%chk=000233619.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233619

0 1
O -0.252448 -2.199030 -0.517576
O 3.077740 0.701953 1.393025
O -2.836715 -0.515378 0.479758
O -1.109647 2.208939 0.457506
O -2.375001 -0.040166 -1.722778
N -0.680886 -0.016234 -0.060871
N 0.992528 1.415013 0.920832
C 1.624367 -0.985589 0.424112
C 1.848383 -1.953582 1.620503
C 2.572834 -1.292951 -0.763524
C 0.193281 -1.165627 -0.084098
C 1.993461 0.405610 0.946266
C 1.779559 -3.430282 1.261595
C 2.429379 -0.303010 -1.911195
C -0.335610 1.280069 0.441807
C -2.056950 -0.179446 -0.577656
C -4.281980 -0.673130 0.224793
C -4.910756 0.675311 -0.030978
H 1.102628 -1.726555 2.410597
H 2.844090 -1.730753 2.067668
H 2.370539 -2.324100 -1.126566
H 3.619282 -1.297924 -0.390070
H 0.862673 -3.681364 0.703979
H 2.628484 -3.747874 0.644942
H 1.785660 -4.052047 2.165844
H 1.411989 -0.280591 -2.323485
H 2.694719 0.720705 -1.620341
H 3.095679 -0.574757 -2.741961
H 1.252969 2.351993 1.276763
H -4.407371 -1.381913 -0.612164
H -4.588994 -1.132242 1.184087
H -6.006344 0.618017 -0.022801
H -4.611544 1.413841 0.727697
H -4.611198 1.087392 -1.007712


%chk=000233619-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000233619

0 1
O -0.156282 -1.779057 -1.159501
O 3.325124 0.833436 0.907071
O -2.698256 -0.683040 0.316624
O -1.074066 2.319908 0.857858
O -2.449932 0.692819 -1.561606
N -0.616561 0.222396 -0.086402
N 1.122129 1.527190 0.862693
C 1.654153 -0.834469 0.210686
C 1.555374 -1.664666 1.568343
C 2.694008 -1.464559 -0.758629
C 0.259527 -0.848749 -0.426546
C 2.124846 0.560396 0.653379
C 1.193825 -3.153861 1.406467
C 2.910700 -0.658709 -2.056742
C -0.248583 1.420466 0.572790
C -2.014177 0.128210 -0.549068
C -4.148310 -0.921306 -0.014003
C -5.011234 0.226946 0.509552
H 0.814436 -1.173646 2.230199
H 2.543592 -1.565118 2.056331
H 2.346210 -2.480041 -1.012429
H 3.648108 -1.552019 -0.207906
H 0.238963 -3.293339 0.872035
H 1.974694 -3.708712 0.859420
H 1.097247 -3.613170 2.407112
H 1.976323 -0.573826 -2.640706
H 3.293932 0.355761 -1.846465
H 3.653812 -1.166444 -2.696805
H 1.415703 2.422335 1.268435
H -4.232527 -1.036287 -1.108682
H -4.361935 -1.876621 0.489395
H -6.076657 -0.005124 0.326654
H -4.869112 0.366308 1.594506
H -4.770274 1.170890 -0.006059


