%chk=000211927.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211927

0 1
O -1.458288 2.368757 -0.120437
O -0.819396 -1.162606 -2.379588
O 3.109147 1.595677 1.189325
O 4.129312 -2.031996 -1.847090
O 4.982497 -0.157219 0.196028
N -2.965860 0.794247 -0.818679
C -3.884425 0.968316 0.343132
C -5.320576 1.210359 -0.164701
C -3.808993 -0.260322 1.273423
C -5.967814 -0.048258 -0.754976
C -4.462326 -1.507461 0.666958
C -5.904476 -1.226420 0.225804
C -1.793666 1.520998 -0.936085
C -0.951699 1.195817 -2.158682
C -0.266780 -0.152543 -2.007151
C 1.098933 -0.145444 -1.391447
C 2.034089 -1.068855 -1.842584
C 1.410541 0.770707 -0.375715
C 2.688807 0.755607 0.186321
C 3.329187 -1.082181 -1.272928
C 3.673352 -0.173223 -0.253138
C 2.156559 2.569967 1.694074
C 5.488642 -2.183945 -1.359552
C 5.138949 -0.239476 1.639691
H -3.540050 1.876956 0.913831
H -5.322439 2.023951 -0.915442
H -5.931624 1.579140 0.682862
H -2.753172 -0.474015 1.529161
H -4.306611 -0.006846 2.230006
H -5.470424 -0.322189 -1.704876
H -7.021327 0.165105 -1.019103
H -3.866157 -1.868186 -0.193705
H -4.447849 -2.331697 1.405528
H -6.338308 -2.130076 -0.242014
H -6.531828 -1.010253 1.111944
H -3.181828 0.032318 -1.460468
H -0.207210 2.010660 -2.305341
H -1.567825 1.199935 -3.082696
H 1.790045 -1.797560 -2.617893
H 0.661093 1.487973 -0.031885
H 2.756167 3.093099 2.448658
H 1.848017 3.250890 0.894021
H 1.297090 2.064925 2.145111
H 6.033303 -1.237067 -1.457388
H 5.475522 -2.520133 -0.319505
H 5.879646 -2.953018 -2.035310
H 4.751525 0.674891 2.107398
H 4.638088 -1.128068 2.027861
H 6.226938 -0.305538 1.743244


%chk=000211927-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211927

0 1
O -1.554958 2.684792 0.264434
O -1.003854 -0.249371 -2.956419
O 3.160049 1.722365 1.084258
O 3.518735 -2.217950 -1.830731
O 4.654631 -0.479479 0.205559
N -3.029542 1.232517 -0.817806
C -3.937667 1.047516 0.339911
C -5.362819 0.702841 -0.158193
C -3.407384 -0.049249 1.305850
C -5.452916 -0.718367 -0.771218
C -3.489497 -1.463269 0.684420
C -4.928767 -1.789610 0.215929
C -1.902100 2.016766 -0.761601
C -1.062499 2.001772 -2.060345
C -0.402253 0.626292 -2.258503
C 0.900045 0.356853 -1.587761
C 1.637670 -0.790289 -1.954917
C 1.384574 1.215862 -0.563243
C 2.602078 0.919617 0.076034
C 2.866357 -1.088502 -1.326101
C 3.371618 -0.230178 -0.299884
C 2.431240 2.945796 1.450521
C 4.426635 -3.014293 -0.985365
C 4.826900 -0.574078 1.673551
H -3.946643 2.014423 0.875964
H -5.701237 1.467133 -0.883957
H -6.045735 0.757544 0.712645
H -2.370039 0.197742 1.597179
H -4.021661 -0.015152 2.229083
H -4.866647 -0.773857 -1.713003
H -6.501463 -0.932971 -1.052840
H -2.797070 -1.530329 -0.179489
H -3.147043 -2.215819 1.420129
H -4.960564 -2.790246 -0.256116
H -5.600388 -1.828152 1.099049
H -3.179030 0.667466 -1.659188
H -0.324686 2.814031 -1.993172
H -1.717435 2.175214 -2.931267
H 1.256557 -1.463725 -2.727160
H 0.794696 2.080619 -0.248705
H 3.033554 3.405644 2.247506
H 2.358632 3.635276 0.588505
H 1.416458 2.715469 1.825199
H 5.391541 -2.503225 -0.846572
H 3.971204 -3.223383 0.001759
H 4.557237 -3.956104 -1.541243
H 4.544856 0.372453 2.159147
H 4.217914 -1.407238 2.076102
H 5.897213 -0.785465 1.818065


