%chk=000297274.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297274

0 1
O -0.799241 -1.570378 0.465863
O 0.048418 -0.198219 -1.380013
O 0.785483 -1.105162 2.008646
N -4.140495 -0.726864 0.067650
C -2.877675 -2.637877 1.037508
C -3.600103 -1.296960 1.346585
C -3.181625 -2.934287 -0.446901
C -4.260742 -1.909417 -0.850396
C -3.271450 0.367455 -0.499741
C -1.380723 -2.598975 1.339563
C -3.158068 1.513824 0.513317
C -3.888891 0.884771 -1.806543
C 0.758504 0.098518 -0.175814
C 0.308810 -0.909624 0.915913
C 2.231886 -0.082912 -0.501789
C 0.458893 1.524169 0.269556
C 3.182919 -0.132385 0.527369
C 0.079857 2.459985 -0.703687
C 2.638738 -0.173966 -1.839748
C 0.588596 1.920137 1.606749
C 4.537166 -0.270284 0.214196
C -0.186362 3.781174 -0.336441
C 3.995363 -0.312561 -2.146038
C 0.321016 3.243316 1.969333
C 4.945286 -0.358998 -1.121088
C -0.068770 4.173912 1.000972
H -3.316607 -3.442341 1.676136
H -2.939700 -0.583417 1.876734
H -4.475898 -1.475161 2.005820
H -2.274042 -2.810445 -1.066805
H -3.524343 -3.968750 -0.595978
H -4.185888 -1.623477 -1.916222
H -5.279941 -2.325639 -0.700448
H -2.228563 -0.024652 -0.720520
H -1.158982 -2.345546 2.392599
H -0.864853 -3.535198 1.063346
H -2.645878 1.201560 1.431919
H -4.149848 1.883814 0.802998
H -2.593913 2.357065 0.098536
H -3.901914 0.116785 -2.588636
H -3.334964 1.746046 -2.192571
H -4.928454 1.202502 -1.648405
H -0.949116 -0.237406 -1.199389
H 2.866476 -0.076113 1.571899
H 0.001996 2.148012 -1.747811
H 1.890718 -0.141969 -2.635982
H 0.902093 1.202911 2.370091
H 5.275260 -0.309783 1.013559
H -0.479142 4.506421 -1.093929
H 4.310495 -0.384389 -3.185453
H 0.420873 3.548965 3.009914
H 6.001606 -0.465388 -1.361416
H -0.275461 5.204000 1.286794


%chk=000297274-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297274

0 1
O -0.734758 -1.477818 0.365013
O 0.274200 -0.049781 -1.561088
O 1.195997 -1.468993 1.667108
N -4.329614 -0.678352 0.188368
C -2.861864 -2.497517 1.048512
C -3.538248 -1.107814 1.386018
C -3.340545 -2.816404 -0.398115
C -4.632077 -1.961742 -0.513184
C -3.680278 0.405952 -0.619337
C -1.345509 -2.521791 1.248763
C -3.703154 1.729519 0.179704
C -4.392281 0.617260 -1.973353
C 0.991200 0.088159 -0.289827
C 0.548533 -1.040806 0.689790
C 2.493721 -0.054105 -0.607316
C 0.660376 1.461684 0.356727
C 3.469023 0.276094 0.364453
C 0.435970 2.560731 -0.510527
C 2.905778 -0.542111 -1.870187
C 0.599728 1.662863 1.757792
C 4.841700 0.117873 0.076127
C 0.152140 3.838982 0.015096
C 4.281120 -0.693788 -2.158342
C 0.309385 2.943921 2.281703
C 5.253941 -0.366896 -1.186961
C 0.084515 4.035982 1.414593
H -3.264995 -3.267044 1.737882
H -2.782631 -0.346420 1.642432
H -4.213003 -1.223344 2.254963
H -2.590503 -2.475503 -1.135443
H -3.517458 -3.894801 -0.558384
H -4.969398 -1.793362 -1.545754
H -5.459135 -2.465160 0.027862
H -2.605446 0.155877 -0.829387
H -1.054231 -2.301031 2.291899
H -0.902164 -3.491422 0.956886
H -3.218590 1.633357 1.166833
H -4.748747 2.048212 0.341394
H -3.164634 2.520130 -0.374290
H -4.225446 -0.211072 -2.684378
H -4.010185 1.538690 -2.447928
H -5.480196 0.733906 -1.815349
H -0.683766 -0.214338 -1.351156
H 3.161691 0.655143 1.343704
H 0.483918 2.396244 -1.591423
H 2.144583 -0.787607 -2.614572
H 0.782851 0.829569 2.445573
H 5.588176 0.374296 0.836187
H -0.014944 4.681389 -0.665774
H 4.590705 -1.068174 -3.140841
H 0.261960 3.086412 3.367263
H 6.320210 -0.486334 -1.410560
H -0.138820 5.028081 1.822631


