%chk=000279631.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279631

0 1
O 1.897191 2.275825 -0.510420
O 3.214027 4.151023 -0.796487
N -1.265674 -1.582928 0.121420
N 3.400731 0.924451 0.513516
N 3.997857 2.135829 0.237423
C 1.194716 -1.344858 0.158068
C 1.020112 0.079253 0.079629
C 0.006082 -2.137060 0.180794
C -1.389513 -0.257392 0.033369
C -0.247903 0.617214 0.015256
C -2.756097 0.315319 -0.037366
C 2.455846 -2.013517 0.211038
C 2.153982 1.000536 0.066308
C 0.097575 -3.566384 0.264219
C 2.517479 -3.382846 0.288957
C 1.327406 -4.168241 0.317520
C -3.042802 1.334787 -0.959952
C -3.764155 -0.164349 0.813529
C -4.328579 1.876866 -1.018457
C -5.047291 0.386096 0.750959
C -5.330220 1.406762 -0.161786
C 3.101166 3.030718 -0.400981
H -0.403330 1.698069 -0.042911
H 3.377037 -1.427243 0.191585
H -0.831370 -4.140376 0.280600
H 3.480072 -3.892853 0.330331
H 1.416450 -5.253133 0.380989
H -2.269956 1.696635 -1.637342
H -3.544163 -0.971233 1.514512
H -4.551541 2.666389 -1.734755
H -5.828197 0.014899 1.413143
H -6.330777 1.833936 -0.208803
H 4.961738 2.294905 0.516697


%chk=000279631-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279631

0 1
O 1.906049 2.381009 -0.387482
O 3.343615 4.275158 -0.699483
N -1.263706 -1.536361 0.271311
N 3.507249 0.761647 -0.116954
N 4.098663 2.020053 -0.324894
C 1.226813 -1.329736 0.226123
C 1.067840 0.091176 -0.007408
C -0.001156 -2.094462 0.359869
C -1.383185 -0.203426 0.048222
C -0.224531 0.630994 -0.091673
C -2.765855 0.352647 -0.041201
C 2.479508 -2.013402 0.332801
C 2.194765 1.011656 -0.159873
C 0.072138 -3.506235 0.594615
C 2.515818 -3.392997 0.561527
C 1.308166 -4.146435 0.693856
C -3.018311 1.719251 -0.343969
C -3.876312 -0.508751 0.180337
C -4.339895 2.207954 -0.420824
C -5.195076 -0.019802 0.104440
C -5.434898 1.342587 -0.196433
C 3.195295 3.065241 -0.499163
H -0.331767 1.703442 -0.260568
H 3.407780 -1.446725 0.234122
H -0.873714 -4.047752 0.689379
H 3.482119 -3.903189 0.640556
H 1.357146 -5.225954 0.872774
H -2.194607 2.416264 -0.528775
H -3.671582 -1.558469 0.409424
H -4.514205 3.263466 -0.656915
H -6.037451 -0.698246 0.279647
H -6.460300 1.724095 -0.255778
H 5.111484 2.102404 -0.337009


