%chk=000194005.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194005

0 1
O 0.264662 -0.673592 -0.455202
O -2.464772 4.938758 0.625116
O -2.061128 4.208779 -1.452165
O 6.347832 0.325555 -1.323574
O 6.187607 0.974971 0.733134
N -1.796979 0.214828 0.188489
N 5.711166 0.534207 -0.302581
C -1.234518 -2.054704 0.921235
C -0.665412 -0.573784 0.720718
C -2.519826 -2.007313 0.110769
C -2.788231 -0.677718 -0.326399
C -0.254348 -3.096452 0.391294
C -1.556334 -2.310783 2.395630
C -0.030881 0.076359 1.906593
C -1.552740 1.531492 -0.441599
C -3.395285 -3.027896 -0.209694
C -3.918385 -0.369877 -1.077154
C 1.568249 -0.354139 -0.357582
C 1.267446 0.402229 1.967524
C -2.254941 2.609425 0.403919
C 2.145518 0.171257 0.828613
C -4.543217 -2.726705 -0.968543
C -4.795904 -1.422305 -1.390666
C 2.336721 -0.568320 -1.527006
C 3.511565 0.459795 0.837373
C -2.232944 3.934195 -0.288559
C 4.275053 0.234265 -0.317799
C 3.686820 -0.274394 -1.500440
H 0.709037 -3.049745 0.911343
H -0.648967 -4.111731 0.512727
H -0.056821 -2.950260 -0.681106
H -2.018666 -3.298281 2.523928
H -0.656881 -2.291910 3.021365
H -2.268238 -1.576446 2.792211
H -0.718361 0.271081 2.732460
H -0.459600 1.738289 -0.499495
H -1.929702 1.558018 -1.491829
H -3.205721 -4.049326 0.114083
H -4.125002 0.640836 -1.413687
H 1.709019 0.858584 2.856005
H -1.792333 2.683358 1.413694
H -3.311298 2.317086 0.611963
H -5.235878 -3.524782 -1.226173
H -5.688963 -1.206585 -1.977871
H 1.850333 -0.960937 -2.419986
H 3.995380 0.862204 1.736107
H 4.317253 -0.430470 -2.385183
H -2.474485 5.842884 0.209297


%chk=000194005-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194005

0 1
O 0.404598 -1.089582 -0.384709
O -2.757412 4.807460 0.975130
O -1.827321 4.257763 -1.081033
O 6.342656 0.645780 -1.813853
O 6.187764 1.502573 0.297324
N -1.625891 0.118277 0.160112
N 5.690497 0.869897 -0.718016
C -1.370328 -2.079992 1.079045
C -0.605123 -0.719522 0.762342
C -2.502328 -2.025026 0.048036
C -2.641221 -0.690468 -0.413187
C -0.460107 -3.320323 0.980607
C -2.007732 -2.010319 2.500286
C 0.124288 -0.063035 1.905553
C -1.405649 1.516450 -0.225552
C -3.384404 -3.018772 -0.393000
C -3.663613 -0.319535 -1.307808
C 1.677679 -0.568633 -0.435803
C 1.428454 0.334988 1.857375
C -2.333949 2.474811 0.558548
C 2.253711 0.137026 0.669894
C -4.418830 -2.669020 -1.304368
C -4.553189 -1.333804 -1.748260
C 2.421636 -0.785995 -1.624538
C 3.580029 0.606879 0.565098
C -2.257956 3.894947 0.036058
C 4.307384 0.377590 -0.620338
C 3.739199 -0.315906 -1.719689
H 0.388669 -3.239135 1.683991
H -1.035044 -4.225129 1.250406
H -0.059925 -3.447412 -0.036556
H -2.667838 -2.883640 2.640908
H -1.233443 -2.037870 3.288493
H -2.621841 -1.100448 2.627122
H -0.476342 0.114748 2.802666
H -0.352838 1.779809 -0.028536
H -1.567374 1.645886 -1.312154
H -3.280926 -4.054331 -0.048706
H -3.769187 0.706527 -1.675368
H 1.880466 0.829223 2.725396
H -2.095536 2.469249 1.636057
H -3.386120 2.138773 0.473164
H -5.112996 -3.435694 -1.664051
H -5.352837 -1.074061 -2.451057
H 1.948781 -1.325648 -2.449649
H 4.056399 1.147472 1.388773
H 4.339607 -0.470356 -2.619773
H -2.717616 5.727530 0.594917


