%chk=000237254.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237254

0 1
O 2.198475 -0.625673 0.960979
O 1.555941 2.651286 0.009277
O 3.219273 0.791728 -2.101498
O -0.209180 1.391876 2.619903
O 3.643906 -2.832254 -0.687665
N -0.081397 -0.372236 0.505462
N -1.632329 -2.069191 0.423950
N -1.542729 1.511301 -0.291302
N -3.817263 0.767100 -0.814426
N -4.534389 -1.474697 -0.580734
C 1.160842 0.362037 0.825702
C 1.562657 1.284265 -0.376440
C 3.029485 0.895391 -0.691974
C 3.194512 -0.524574 -0.103017
C 1.106817 1.052044 2.217438
C 2.962660 -1.652908 -1.116029
C -1.275658 0.205260 0.054775
C -0.373157 -1.761725 0.741774
C -2.227500 -0.869683 -0.008630
C -3.540328 -0.544259 -0.464090
C -2.826725 1.702179 -0.711289
H 0.911582 1.137004 -1.269420
H 3.743462 1.632029 -0.263766
H 4.154907 -0.666992 0.442338
H 1.754377 1.951958 2.212275
H 1.443271 0.342279 3.003404
H 3.439457 -1.422314 -2.095455
H 1.888637 -1.860032 -1.264235
H 0.637283 3.015847 -0.105609
H 0.389267 -2.428279 1.125278
H 3.312298 1.688423 -2.497667
H -0.594977 2.073584 2.019784
H 3.228086 -3.190108 0.126036
H -3.106054 2.730139 -1.001973
H -4.371069 -2.431317 -0.302299
H -5.458840 -1.208788 -0.883754


%chk=000237254-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237254

0 1
O 2.116805 -0.970553 0.685700
O 0.900109 2.373815 -0.356412
O 3.547606 1.360050 -1.741401
O 0.247128 1.867052 2.307205
O 3.706809 -2.758790 -0.864348
N -0.235407 -0.517603 0.574893
N -1.965395 -2.005979 0.834453
N -1.487985 1.320067 -0.582995
N -3.848422 0.765872 -0.913317
N -4.791498 -1.276528 -0.198461
C 1.097472 0.095946 0.754327
C 1.439092 1.030850 -0.444225
C 2.976596 1.013835 -0.446116
C 3.315381 -0.456881 -0.100434
C 1.202351 0.782715 2.147354
C 3.506076 -1.378908 -1.311197
C -1.363510 0.092189 0.017016
C -0.661933 -1.767292 1.062292
C -2.417216 -0.843958 0.182992
C -3.701146 -0.464399 -0.307809
C -2.759982 1.574498 -1.017539
H 1.089840 0.530230 -1.373039
H 3.349315 1.704820 0.336857
H 4.179193 -0.556125 0.578440
H 2.249829 1.125872 2.285313
H 0.972743 0.041629 2.930866
H 4.418711 -1.097443 -1.857985
H 2.641469 -1.298406 -2.000903
H -0.117532 2.228379 -0.564906
H 0.030104 -2.452025 1.544921
H 3.260979 2.282841 -1.962833
H 0.423607 2.506308 1.557441
H 2.936963 -3.001207 -0.286967
H -2.921785 2.541091 -1.502387
H -4.703250 -2.186463 0.250251
H -5.687517 -0.954800 -0.559946


