%chk=000189531.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189531

0 1
O -2.105892 -1.111240 -0.181579
O 3.117210 0.595593 0.449769
O 2.356952 -2.231427 0.079669
C -3.302051 -0.218016 -0.135264
C -0.576768 0.753189 0.206860
C -0.854884 -0.621787 -0.007620
C -2.962906 1.224922 0.094010
C 0.765796 1.155080 0.360270
C -1.707426 1.666651 0.252694
C -3.940612 -0.447971 -1.503196
C -4.114238 -0.805896 1.016479
C 0.154696 -1.593577 -0.047043
C 1.790090 0.194072 0.277039
C 1.483867 -1.181639 0.108828
C 1.117692 2.582242 0.617873
C 3.730844 1.062676 -0.784025
C 3.744496 -2.008866 0.445620
H -3.821671 1.890320 0.123282
H -1.494371 2.723281 0.418603
H -4.000803 -1.521012 -1.729982
H -4.951262 -0.032668 -1.554909
H -3.343133 0.011378 -2.300849
H -3.634684 -0.602252 1.982537
H -5.128321 -0.397191 1.049372
H -4.189042 -1.897748 0.924019
H -0.089739 -2.643956 -0.185882
H 0.524357 3.001077 1.443341
H 2.177107 2.692644 0.906046
H 0.944773 3.206406 -0.269072
H 3.191707 1.930022 -1.172632
H 3.752430 0.257427 -1.523001
H 4.738120 1.335508 -0.454091
H 3.822233 -1.357733 1.324189
H 4.272004 -1.576779 -0.408281
H 4.084830 -3.028131 0.661627


%chk=000189531-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189531

0 1
O -2.069227 -0.952633 -0.826345
O 3.135796 0.799458 0.459716
O 2.626345 -1.904067 -0.407303
C -3.275482 -0.241192 -0.251835
C -0.584381 0.854423 -0.030192
C -0.797988 -0.493468 -0.448121
C -3.011287 1.256012 -0.173518
C 0.740545 1.292187 0.273748
C -1.748017 1.747145 -0.023448
C -4.407345 -0.583434 -1.233566
C -3.535863 -0.830544 1.155534
C 0.270010 -1.402022 -0.567806
C 1.813356 0.373903 0.150814
C 1.573802 -0.973808 -0.251749
C 1.015444 2.721551 0.705680
C 4.009913 0.926131 -0.729214
C 3.380970 -2.214973 0.829498
H -3.884367 1.918254 -0.207857
H -1.584781 2.825481 0.075146
H -4.519757 -1.678044 -1.315837
H -5.363116 -0.156473 -0.879590
H -4.185628 -0.177909 -2.234960
H -2.674592 -0.641949 1.820013
H -4.428641 -0.362467 1.609385
H -3.702347 -1.920503 1.087076
H 0.095408 -2.431726 -0.888401
H 0.427568 2.990962 1.602466
H 2.082776 2.844267 0.943911
H 0.750384 3.444275 -0.089878
H 3.612211 1.695153 -1.419170
H 4.094124 -0.041876 -1.256034
H 4.992602 1.239910 -0.343641
H 2.715459 -2.709339 1.562769
H 3.811588 -1.298178 1.269111
H 4.175918 -2.909909 0.518297


