%chk=000192015.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192015

0 1
O -1.365127 -3.002201 0.056601
O -3.561250 1.045838 0.539178
O -3.222791 -2.419712 -1.172206
O -3.235852 3.238077 -0.078381
N -0.446114 1.299279 -0.796829
N -1.797305 -4.152238 -1.821083
N -4.087829 2.651232 2.017077
C 0.594978 -0.391144 0.306853
C -0.806333 -0.655513 0.290219
C 0.800590 0.830137 -0.370793
C -1.437787 0.400081 -0.399713
C 1.633906 -1.217697 0.918519
C 2.061528 1.532436 -0.623392
C -1.497342 -1.807672 0.908187
C -2.884954 0.569593 -0.670326
C -0.679021 2.514539 -1.584493
C 1.637557 -2.609990 0.724804
C 2.639121 -0.627947 1.705656
C 3.039491 0.933824 -1.434015
C 2.305513 2.787723 -0.042217
C 2.630312 -3.397460 1.311481
C 3.628909 -1.421557 2.289004
C 4.248459 1.593962 -1.667371
C 3.516447 3.441557 -0.282053
C 3.627480 -2.806726 2.094201
C 4.487438 2.847842 -1.095352
C -2.243102 -3.123077 -1.002909
C -3.599513 2.413423 0.742545
C -2.692688 -4.693040 -2.863812
C -4.487431 4.019299 2.403966
H -0.994777 -2.170968 1.827836
H -2.573091 -1.624319 1.091770
H -3.114135 1.250768 -1.508876
H -3.400811 -0.415099 -0.817240
H 0.224145 3.146650 -1.631765
H -1.497236 3.124545 -1.132247
H -0.972565 2.264455 -2.619204
H 0.857499 -3.070041 0.113366
H 2.643121 0.450834 1.857473
H 2.852887 -0.047785 -1.869831
H 1.554559 3.242586 0.602516
H 2.627379 -4.474658 1.158289
H 4.404087 -0.959245 2.897125
H 5.007148 1.128335 -2.294567
H 3.705665 4.414186 0.169093
H 4.399497 -3.421894 2.549795
H 5.430051 3.359456 -1.279713
H -1.013314 -4.728264 -1.529036
H -4.433332 1.879814 2.581167
H -3.494708 -3.966476 -3.103809
H -2.113131 -4.873308 -3.785641
H -3.171403 -5.634933 -2.548078
H -4.031359 4.766804 1.724573
H -5.581866 4.151945 2.369000
H -4.130597 4.229542 3.427156


%chk=000192015-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000192015

0 1
O -1.369393 -3.098364 -0.103857
O -3.567782 1.031812 0.551916
O -3.338234 -2.459816 -1.249972
O -3.174644 3.315448 0.076498
N -0.385223 1.350844 -0.802981
N -2.124883 -4.391161 -1.808205
N -4.289313 2.602999 2.018005
C 0.675474 -0.391683 0.224779
C -0.740590 -0.677984 0.159774
C 0.870669 0.871198 -0.390438
C -1.373229 0.417068 -0.466254
C 1.711025 -1.212591 0.896923
C 2.131218 1.609741 -0.632451
C -1.454663 -1.849959 0.755692
C -2.831228 0.626207 -0.709694
C -0.627572 2.528363 -1.660553
C 1.716647 -2.631426 0.772759
C 2.715913 -0.608787 1.706636
C 3.223669 0.963936 -1.274490
C 2.295066 2.960567 -0.213299
C 2.692880 -3.413427 1.428739
C 3.694788 -1.390331 2.354842
C 4.438957 1.646544 -1.493418
C 3.508712 3.645957 -0.439852
C 3.690486 -2.799087 2.220121
C 4.586351 2.992262 -1.081653
C -2.366859 -3.247780 -1.080003
C -3.633866 2.405907 0.823680
C -3.009852 -4.830135 -2.889073
C -4.547394 3.939385 2.557204
H -0.980620 -2.186908 1.690846
H -2.522792 -1.636277 0.922472
H -3.029500 1.394637 -1.474627
H -3.317325 -0.325813 -0.972245
H 0.302963 3.103077 -1.762382
H -1.412695 3.159285 -1.211895
H -0.946521 2.206812 -2.669092
H 0.956169 -3.115053 0.151005
H 2.718993 0.478764 1.833796
H 3.109989 -0.076451 -1.596835
H 1.477246 3.462530 0.317231
H 2.676847 -4.503949 1.316741
H 4.456704 -0.900660 2.972335
H 5.269039 1.130274 -1.988608
H 3.615897 4.684379 -0.106443
H 4.449608 -3.406244 2.726292
H 5.529418 3.522686 -1.254808
H -1.299823 -4.936949 -1.559863
H -4.609122 1.771351 2.514614
H -3.828273 -4.097694 -2.972960
H -2.473882 -4.874436 -3.855462
H -3.445449 -5.824016 -2.675269
H -4.123570 4.674144 1.854423
H -5.632060 4.131316 2.657591
H -4.067368 4.075288 3.544266


