%chk=000213423.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213423

0 1
O -5.571763 -0.280052 2.068258
O -0.631280 1.386168 -1.846936
O 0.195170 -0.975730 -0.969737
O 1.875861 0.925579 -0.005815
N -3.199900 0.217565 0.553600
C -2.048934 1.038603 0.066095
C -3.140927 0.036587 2.042008
C -4.508899 0.842717 0.168640
C -1.665543 0.541134 -1.347245
C -4.314141 -0.857723 2.473195
C -5.647404 -0.074057 0.642755
C -1.202058 -0.927787 -1.369847
C 0.470298 -1.013238 0.381308
C 1.462129 -0.112051 0.835046
C -0.094790 -1.931082 1.273618
C 1.925299 -0.158224 2.150470
C 0.360054 -1.961569 2.595886
C 2.967679 0.686328 -0.851142
C 1.362441 -1.088334 3.031536
C 3.179723 1.725425 -1.790063
C 3.786335 -0.438249 -0.769072
C 4.270198 1.592421 -2.653096
C 2.258777 2.894536 -1.847933
C 4.868063 -0.537415 -1.653622
C 5.109791 0.470809 -2.586512
H -1.173445 0.937926 0.743176
H -2.255670 2.129533 0.017544
H -2.176911 -0.456055 2.296916
H -3.178558 0.998788 2.596637
H -4.539236 0.944711 -0.936559
H -4.644256 1.860160 0.595873
H -2.499957 0.697627 -2.068945
H -4.419335 -0.907174 3.571105
H -4.233320 -1.873380 2.048074
H -5.623048 -1.054899 0.136581
H -6.639408 0.395791 0.523932
H -1.831874 -1.580968 -0.744840
H -1.131635 -1.321161 -2.401886
H 0.251506 1.133702 -1.437914
H -0.868929 -2.616634 0.933484
H 2.700421 0.535843 2.475134
H -0.068946 -2.682310 3.292391
H 1.709696 -1.129897 4.063011
H 3.590487 -1.224892 -0.045115
H 4.468748 2.368849 -3.391285
H 1.999886 3.253501 -0.839643
H 1.306158 2.622695 -2.339009
H 2.679936 3.741028 -2.402690
H 5.518779 -1.409252 -1.607853
H 5.951332 0.389807 -3.271013


%chk=000213423-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213423

0 1
O -5.593248 1.418892 1.049641
O -0.410435 -0.692233 -2.528678
O 0.187537 -0.883189 0.255150
O 2.444594 0.484441 1.129392
N -3.096593 0.615133 -0.194219
C -1.903908 0.661941 -1.073266
C -3.131681 1.687161 0.834536
C -4.377364 0.578294 -0.945447
C -1.447689 -0.758363 -1.494001
C -4.316956 1.451704 1.785169
C -5.549367 0.361464 0.025989
C -0.982843 -1.598542 -0.298013
C 0.990543 -1.524646 1.198589
C 2.173171 -0.827471 1.588324
C 0.705272 -2.780725 1.784639
C 3.033138 -1.373146 2.557820
C 1.579327 -3.326100 2.753658
C 2.604915 0.760279 -0.253625
C 2.741160 -2.626233 3.145241
C 2.563742 2.139604 -0.595627
C 2.835226 -0.244472 -1.218970
C 2.753474 2.476224 -1.957058
C 2.324775 3.187546 0.471424
C 3.017841 0.125702 -2.572097
C 2.975126 1.487881 -2.945082
H -1.073335 1.144525 -0.525950
H -2.079306 1.252955 -2.001051
H -2.187318 1.662555 1.409794
H -3.232786 2.701015 0.372881
H -4.352201 -0.248963 -1.679682
H -4.541082 1.529882 -1.510932
H -2.286052 -1.291461 -1.978862
H -4.417477 2.275476 2.511046
H -4.172649 0.491085 2.325837
H -5.445996 -0.630937 0.516633
H -6.518020 0.418335 -0.497640
H -1.782067 -1.660654 0.464899
H -0.676474 -2.606499 -0.638023
H 0.428726 -0.347092 -2.119659
H -0.202082 -3.323529 1.504253
H 3.921940 -0.801016 2.841165
H 1.342846 -4.296181 3.203652
H 3.414728 -3.046093 3.898800
H 2.884010 -1.295834 -0.918241
H 2.722025 3.534186 -2.243859
H 3.133022 3.179301 1.225819
H 1.386720 2.989415 1.021688
H 2.269658 4.196803 0.029258
H 3.192276 -0.650582 -3.324647
H 3.109733 1.777864 -3.992166


