%chk=000278616.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278616

0 1
O 0.828526 0.798094 -0.426379
O -2.819401 0.686961 0.479374
O 0.663540 -0.976537 0.985642
O -2.411428 -1.247133 -0.625560
O 7.603142 -1.534637 0.214692
O 7.600225 0.269521 -0.979986
N 7.043638 -0.595804 -0.325401
C -0.614097 1.017240 -0.604891
C -1.404111 0.977078 0.722060
C -0.658973 2.467939 -1.098975
C -1.450212 2.413233 1.259003
C -1.011809 3.347954 0.115220
C 1.334078 -0.249328 0.292716
C -3.210057 -0.490041 -0.122851
C 2.817817 -0.308866 0.110118
C -4.686482 -0.620532 -0.076685
C 3.505925 -1.371824 0.715549
C 3.503404 0.658256 -0.637892
C -5.262920 -1.768107 -0.646210
C -5.496226 0.359687 0.515830
C 4.890930 -1.470412 0.574620
C 4.888944 0.567678 -0.782820
C 5.567549 -0.496923 -0.173589
C -6.649527 -1.929603 -0.621604
C -6.882760 0.191285 0.535685
C -7.457950 -0.951200 -0.031747
H -0.942282 0.250796 -1.337590
H -1.039714 0.211583 1.438791
H -1.412188 2.571673 -1.900771
H 0.312756 2.758724 -1.541241
H -0.791881 2.517135 2.138917
H -2.474521 2.655333 1.605213
H -1.814234 4.061311 -0.140010
H -0.142114 3.954518 0.422914
H 2.950467 -2.118281 1.295208
H 2.947982 1.478074 -1.105193
H -4.619567 -2.525734 -1.102786
H -5.035469 1.246890 0.957189
H 5.448122 -2.292676 1.038272
H 5.445561 1.312405 -1.362883
H -7.100724 -2.818272 -1.061260
H -7.515600 0.949602 0.994399
H -8.540459 -1.080262 -0.013785


%chk=000278616-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000278616

0 1
O 0.751150 0.542059 -0.199273
O -2.883736 0.874797 0.469380
O 1.185395 -0.755627 -2.090736
O -2.641675 -1.354403 1.122581
O 7.888454 -1.149170 0.075283
O 7.370510 0.141147 1.883554
N 7.056171 -0.472596 0.792588
C -0.691208 0.638461 -0.606119
C -1.417672 1.076357 0.683303
C -0.899032 1.814885 -1.576141
C -1.178791 2.594629 0.779612
C -0.899892 3.091972 -0.680052
C 1.581655 -0.197499 -1.039373
C -3.379922 -0.413841 0.738594
C 2.989723 -0.244935 -0.531657
C -4.851048 -0.503305 0.519438
C 3.941432 -0.975565 -1.289673
C 3.381001 0.409930 0.664994
C -5.480274 -1.756437 0.741805
C -5.622001 0.612993 0.101401
C 5.278650 -1.055903 -0.861512
C 4.716044 0.338681 1.104690
C 5.643293 -0.394261 0.331871
C -6.869714 -1.891587 0.547517
C -7.012330 0.472242 -0.091161
C -7.638027 -0.777876 0.130842
H -1.005385 -0.343055 -0.995143
H -1.101553 0.487835 1.560159
H -1.881611 1.679799 -2.063986
H -0.134960 1.831328 -2.370247
H -0.304631 2.777930 1.428412
H -2.048601 3.089109 1.243330
H -1.666739 3.809269 -1.018412
H 0.075207 3.606411 -0.730580
H 3.610845 -1.471952 -2.207166
H 2.635270 0.964985 1.238916
H -4.864933 -2.602954 1.064043
H -5.126732 1.573444 -0.065020
H 6.034128 -1.611437 -1.422542
H 5.049962 0.830498 2.021667
H -7.353884 -2.858818 0.719009
H -7.608444 1.332955 -0.412922
H -8.718196 -0.883695 -0.019971


