%chk=000271704.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271704

0 1
O -0.142701 -2.360584 1.268776
O -2.180899 -2.991485 1.586401
O -5.620110 1.345900 -1.110125
O -5.921423 -0.498891 -0.019718
N 1.226702 0.779813 -0.578284
N 0.409015 -0.193659 -0.024622
N -1.362878 -2.209082 1.140768
N -5.211357 0.362914 -0.512402
C 3.301247 1.812783 -1.127863
C 3.318085 -0.388136 0.214707
C 2.526122 0.695314 -0.469549
C 3.963188 2.739566 -0.098465
C 3.458804 -1.622971 -0.688371
C 2.936065 3.574853 0.677946
C 4.199675 -2.757430 0.033008
C 3.611013 4.498560 1.687705
C 4.361675 -3.978752 -0.867642
C -0.953356 -0.051795 -0.143171
C -1.833135 -1.038497 0.423223
C -1.541980 1.068028 -0.827348
C -3.232239 -0.886402 0.291983
C -3.759396 0.206934 -0.376909
C -2.898017 1.196216 -0.942613
H 4.072625 1.368142 -1.791893
H 2.642002 2.410013 -1.797656
H 4.326565 -0.011886 0.492098
H 2.855283 -0.668100 1.184979
H 4.583653 2.152829 0.606679
H 4.669101 3.413246 -0.625211
H 2.463238 -1.980078 -1.017776
H 3.999408 -1.349947 -1.616140
H 2.324562 4.171604 -0.027880
H 2.219866 2.907628 1.197386
H 3.649439 -3.044330 0.952091
H 5.194641 -2.407721 0.371633
H 4.294977 5.203421 1.201082
H 2.869373 5.092207 2.235768
H 4.190476 3.937807 2.429813
H 3.391698 -4.382226 -1.182753
H 4.892092 -4.785189 -0.346826
H 4.931413 -3.745960 -1.774269
H 0.809619 -1.025574 0.477495
H -0.871303 1.820986 -1.257548
H -3.901577 -1.650119 0.729780
H -3.353050 2.048949 -1.464486


%chk=000271704-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271704

0 1
O 0.051223 -2.345143 1.189870
O -2.065098 -3.097139 1.570293
O -5.721174 1.244908 -1.111835
O -5.945900 -0.720426 0.033937
N 1.223552 0.893796 -0.657381
N 0.430827 -0.111062 -0.090015
N -1.257203 -2.222500 1.080585
N -5.230138 0.219052 -0.492265
C 3.374855 1.869483 -1.128280
C 3.234312 -0.368999 0.209486
C 2.532996 0.776928 -0.502741
C 4.043198 2.814224 -0.083940
C 3.385489 -1.632368 -0.694443
C 3.029394 3.645801 0.733184
C 4.056344 -2.805593 0.054696
C 3.718185 4.609582 1.723205
C 4.240169 -4.049388 -0.840401
C -0.936526 -0.038041 -0.185450
C -1.792910 -1.058494 0.381051
C -1.568815 1.062566 -0.856552
C -3.198882 -0.969596 0.278598
C -3.764833 0.124203 -0.384491
C -2.953159 1.146880 -0.956639
H 4.170463 1.396752 -1.740139
H 2.736556 2.465773 -1.804809
H 4.241264 -0.036015 0.519311
H 2.703961 -0.654534 1.141513
H 4.682941 2.227549 0.606855
H 4.723067 3.498841 -0.628985
H 2.393858 -1.957935 -1.066480
H 3.984945 -1.369361 -1.588936
H 2.387353 4.220488 0.035786
H 2.350450 2.966156 1.284307
H 3.438849 -3.072718 0.935880
H 5.040760 -2.476878 0.445485
H 4.375649 5.323553 1.192039
H 2.976309 5.196109 2.294913
H 4.342615 4.055966 2.449808
H 3.266148 -4.414630 -1.215815
H 4.715797 -4.876000 -0.282379
H 4.876782 -3.822619 -1.716369
H 0.798802 -0.941372 0.415185
H -0.917116 1.827292 -1.282352
H -3.828326 -1.749710 0.714060
H -3.438831 1.983517 -1.465546


