%chk=000229115.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229115

0 1
O -1.396894 -0.551428 -0.909006
O -1.325085 1.186595 0.629936
O -3.976040 -1.817506 0.762528
O -3.908805 -0.199455 2.195191
N -3.811682 -0.653525 1.071859
C -3.537615 0.352223 -0.076989
C -2.780636 -0.359007 -1.221960
C -2.702199 1.538073 0.457520
C -0.688874 0.646638 -0.542551
C 0.681830 0.176248 -0.075261
C -4.912432 0.824608 -0.546363
C 1.818337 0.829981 -0.866669
C 3.152383 0.335666 -0.371862
C 3.813330 1.009292 0.666440
C 3.737656 -0.805003 -0.941977
C 5.050207 0.547634 1.124405
C 4.974720 -1.262103 -0.479978
C 5.634024 -0.587132 0.552295
H -3.133926 -1.403676 -1.372057
H -2.869009 0.209679 -2.164169
H -2.778008 2.408124 -0.217923
H -3.000354 1.828893 1.489591
H -0.725139 1.379204 -1.368163
H 0.733664 -0.934216 -0.155041
H 0.788219 0.386302 1.014116
H -5.477167 1.316841 0.259897
H -4.833720 1.548390 -1.368071
H -5.532160 -0.008026 -0.912364
H 1.761367 1.934659 -0.777086
H 1.706010 0.612180 -1.949038
H 3.362216 1.889854 1.119396
H 3.227582 -1.337797 -1.741989
H 5.559640 1.073168 1.930562
H 5.425296 -2.147861 -0.924965
H 6.596865 -0.944716 0.910342


%chk=000229115-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229115

0 1
O -1.204059 -0.116110 -0.988109
O -1.528655 0.901877 1.169050
O -3.753920 -2.101800 -0.370387
O -4.054935 -1.146671 1.670744
N -3.773497 -1.091319 0.420495
C -3.536691 0.328873 -0.209902
C -2.573530 0.192772 -1.411681
C -2.917737 1.259792 0.858175
C -0.704916 0.888219 -0.042296
C 0.714036 0.512090 0.355283
C -4.932137 0.819241 -0.653505
C 1.699517 0.559386 -0.844203
C 3.110732 0.170229 -0.427764
C 4.061183 1.155929 -0.057027
C 3.492733 -1.195029 -0.360416
C 5.357523 0.790348 0.372319
C 4.787033 -1.566110 0.067868
C 5.724898 -0.573540 0.437271
H -2.878668 -0.632775 -2.070120
H -2.597156 1.154693 -1.970799
H -2.968619 2.299549 0.464894
H -3.466232 1.190461 1.808177
H -0.771719 1.893346 -0.532246
H 0.689679 -0.502923 0.790280
H 1.043828 1.204348 1.151152
H -5.616810 0.885549 0.209746
H -4.850661 1.821243 -1.110020
H -5.370290 0.132465 -1.398368
H 1.699791 1.582055 -1.271196
H 1.322223 -0.121821 -1.628399
H 3.784540 2.216868 -0.108952
H 2.771447 -1.969771 -0.649947
H 6.079730 1.566104 0.651868
H 5.065157 -2.625422 0.110609
H 6.729785 -0.859347 0.768001


