%chk=000239115.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239115

0 1
O -2.332954 1.241021 -1.699613
O 1.257194 -0.267097 -2.355563
N -4.537784 -2.286076 0.907466
N 5.159977 -1.449741 0.373620
C 0.005054 1.068755 -0.334321
C -1.150065 0.148706 -0.009448
C 1.343558 0.398587 -0.120459
C -0.060367 2.387885 0.419538
C -2.365773 0.258459 -0.733059
C 1.972156 -0.305203 -1.177482
C -1.094149 -0.830695 0.981684
C 2.016050 0.435939 1.102626
C -3.383898 -1.535238 0.536397
C 3.850611 -0.907591 0.228860
C -3.468696 -0.558670 -0.484030
C 3.194737 -0.960698 -1.023438
C 0.720841 3.461609 -0.043519
C -0.865702 2.566728 1.551972
C -2.179226 -1.665603 1.259387
C 3.241925 -0.203551 1.291256
C 0.692013 4.691031 0.616287
C -0.893592 3.800977 2.209369
C -0.116404 4.865200 1.745445
C -4.298263 -3.557682 1.644464
C -5.596915 -2.446123 -0.126693
C 5.618840 -1.734497 1.761018
C 5.546332 -2.538460 -0.565365
C -3.523974 1.470827 -2.488010
C 1.813688 -0.922972 -3.518921
H -0.079624 1.315935 -1.438911
H -0.174416 -0.956095 1.558222
H 1.570353 0.984331 1.937393
H -4.383902 -0.437115 -1.049369
H 3.647037 -1.486693 -1.854685
H 1.355688 3.329081 -0.918181
H -1.480724 1.746110 1.920851
H -2.082067 -2.405025 2.047594
H 3.726489 -0.133004 2.259849
H 1.300109 5.516177 0.251545
H -1.525480 3.930377 3.085682
H -0.139174 5.823414 2.257323
H -3.699471 -3.350818 2.549791
H -3.775778 -4.322379 1.048899
H -5.260769 -3.972293 1.984652
H -5.928171 -1.450265 -0.470591
H -6.475375 -2.939261 0.320062
H -5.274277 -3.029551 -1.003028
H 6.683704 -2.017536 1.745277
H 5.539969 -0.816125 2.370711
H 5.049110 -2.533843 2.259921
H 4.957876 -3.460474 -0.437774
H 5.426929 -2.187261 -1.605598
H 6.612890 -2.780373 -0.429141
H -4.353083 1.776061 -1.843081
H -3.767606 0.582166 -3.076145
H -3.205578 2.298587 -3.134993
H 1.905067 -1.997865 -3.340296
H 2.771150 -0.469716 -3.790432
H 1.048706 -0.714477 -4.278115


%chk=000239115-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239115

0 1
O -2.395589 1.419847 -1.634187
O 1.253449 -0.567779 -2.315088
N -4.522146 -2.459111 0.567936
N 5.165417 -1.636097 0.507316
C 0.054550 1.033060 -0.365867
C -1.123175 0.081091 -0.117934
C 1.411691 0.363143 -0.118036
C -0.078733 2.358669 0.406931
C -2.371106 0.308679 -0.766259
C 1.994940 -0.465727 -1.120086
C -1.061077 -1.024411 0.754561
C 2.133359 0.493084 1.087591
C -3.409150 -1.631615 0.344675
C 3.939392 -0.982028 0.305856
C -3.493573 -0.518987 -0.550225
C 3.227844 -1.125509 -0.926507
C 0.580865 3.515323 -0.084215
C -0.817166 2.467021 1.610707
C -2.162765 -1.871791 0.995659
C 3.366116 -0.152201 1.315026
C 0.505313 4.745324 0.603681
C -0.895957 3.696928 2.305651
C -0.235151 4.841910 1.806424
C -4.417262 -3.580230 1.506501
C -5.791851 -2.187451 -0.109418
C 5.887653 -1.452719 1.769997
C 5.743135 -2.466025 -0.552094
C -3.646528 1.733888 -2.317356
C 1.780228 -1.410735 -3.384127
H 0.017917 1.291117 -1.441290
H -0.110207 -1.236069 1.256396
H 1.721522 1.135473 1.874099
H -4.431204 -0.308228 -1.068296
H 3.641332 -1.747140 -1.723058
H 1.157979 3.443743 -1.014804
H -1.343771 1.586279 1.995399
H -2.044512 -2.713700 1.682463
H 3.873875 -0.002574 2.271167
H 1.018859 5.627831 0.203857
H -1.474907 3.760261 3.234895
H -0.298023 5.796198 2.342406
H -4.156609 -3.240224 2.530609
H -3.647391 -4.314207 1.189650
H -5.384065 -4.106324 1.560213
H -6.200387 -1.188458 0.153615
H -6.536171 -2.943631 0.187923
H -5.690062 -2.230559 -1.214349
H 6.822759 -2.035210 1.746243
H 6.152581 -0.389202 1.946026
H 5.292550 -1.799860 2.639890
H 5.072319 -3.305064 -0.832867
H 5.956985 -1.881271 -1.472190
H 6.693277 -2.900325 -0.201723
H -4.456212 1.960589 -1.595622
H -3.966621 0.906701 -2.982380
H -3.428666 2.628850 -2.919437
H 1.872846 -2.466099 -3.059496
H 2.764430 -1.047916 -3.742881
H 1.041651 -1.338629 -4.196674


