%chk=000259738.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259738

0 1
O -5.861225 2.038521 0.494514
O -5.814276 0.981959 -1.490079
O -1.951775 -3.981863 -0.892619
O -3.041427 -2.292533 -1.676209
O 1.733400 0.870508 1.877849
O 2.371324 -1.147105 1.417144
O 0.284970 -2.064254 4.509933
O 0.349884 -3.843950 3.278915
O 6.298118 0.219566 -3.278082
O 6.526666 -0.740153 -1.346709
N -3.339689 -0.119980 -0.278661
N 0.707142 1.766392 -0.721314
N -1.033973 2.741272 0.345962
N -2.369159 -2.842479 -0.801005
N 2.241507 0.029961 1.159055
N -0.000242 -2.698535 3.508200
N 5.910374 -0.088870 -2.166993
C -3.727978 1.303132 -0.188365
C -2.940542 2.170180 -1.197498
C -1.496285 2.155826 -0.854877
C -0.439957 1.568117 -1.536698
C -2.494878 -0.731494 0.611417
C 2.015765 1.295736 -1.043967
C -5.223286 1.383757 -0.521677
C 0.277466 2.502057 0.426358
C -2.043400 -2.078006 0.392611
C 2.762579 0.482569 -0.159903
C -2.050156 -0.059447 1.798847
C 2.553175 1.625691 -2.304924
C -1.232727 -2.713472 1.358877
C 4.033486 0.018957 -0.531139
C -1.251650 -0.686189 2.719577
C -0.843484 -2.034371 2.504163
C 3.818138 1.178618 -2.670640
C 4.554900 0.381771 -1.775871
H -3.555268 1.704232 0.859441
H -3.325600 3.217699 -1.162772
H -3.108678 1.818877 -2.239242
H -3.618893 -0.615961 -1.157092
H -0.408951 1.037738 -2.469753
H 0.955514 2.797407 1.223582
H -2.351886 0.982356 1.962376
H 1.974605 2.250231 -2.994368
H -0.905033 -3.756610 1.189864
H 4.613944 -0.633121 0.145431
H -0.908263 -0.170473 3.628248
H 4.250516 1.441060 -3.647880
H -6.845589 2.131376 0.345473


%chk=000259738-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259738

0 1
O -5.707041 2.687008 -0.235453
O -5.967928 0.538106 -1.092982
O -2.707500 -4.330070 -0.538055
O -3.833269 -2.507846 -1.305033
O 1.792825 0.860249 1.966004
O 2.536360 -1.226287 1.395194
O 0.657055 -2.201405 4.284763
O 0.330092 -4.150623 3.137798
O 6.442922 0.561668 -3.315705
O 6.691648 -0.583098 -1.354018
N -3.459107 -0.172086 -0.183317
N 0.740016 1.789161 -0.630971
N -1.035177 2.852721 0.290372
N -2.988570 -3.074367 -0.475245
N 2.364279 0.027855 1.163146
N 0.119875 -2.889792 3.331268
N 6.021724 0.157809 -2.166551
C -3.777964 1.254079 -0.179588
C -2.918299 2.077985 -1.214078
C -1.468269 2.118732 -0.837480
C -0.383288 1.475736 -1.428289
C -2.588651 -0.818353 0.657391
C 2.079348 1.405220 -0.950087
C -5.256848 1.406670 -0.549438
C 0.280472 2.639898 0.396299
C -2.343489 -2.246493 0.546912
C 2.872406 0.555456 -0.125698
C -1.871731 -0.128525 1.697411
C 2.618910 1.813243 -2.196748
C -1.454504 -2.914810 1.416451
C 4.152734 0.126327 -0.519944
C -1.002921 -0.791154 2.560472
C -0.796071 -2.190090 2.414485
C 3.904804 1.418897 -2.602896
C 4.656144 0.582712 -1.749467
H -3.626371 1.702151 0.816754
H -3.324169 3.105494 -1.232379
H -3.049073 1.631057 -2.215286
H -3.959068 -0.785139 -0.856691
H -0.311913 0.808389 -2.282750
H 0.942376 3.059302 1.145977
H -1.993445 0.951131 1.809609
H 2.010424 2.459769 -2.836336
H -1.289847 -3.989209 1.302833
H 4.738559 -0.552310 0.106303
H -0.463128 -0.253172 3.343474
H 4.333777 1.744515 -3.553775
H -6.659905 2.790188 -0.505155


