%chk=000296521.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296521

0 1
O -5.476849 1.040774 0.701572
O -5.903562 -1.459052 -0.638631
O 5.291765 -1.511286 0.667164
O 5.727927 1.283080 -0.147650
N -0.328342 1.493007 -0.165891
C 0.471444 -0.896299 0.274061
C -0.585141 0.217042 0.539772
C 0.162341 -1.641206 -1.038340
C -1.193642 -2.343310 -0.939935
C -1.998624 -0.219803 0.197202
C 1.873966 -0.336951 0.200677
C -2.281616 -1.413150 -0.480659
C 2.072106 0.993385 -0.225767
C -3.052006 0.625877 0.594049
C 0.874440 1.819137 -0.497742
C -3.616313 -1.774211 -0.730982
C 2.973723 -1.138846 0.520411
C -4.374644 0.279975 0.335025
C 3.364238 1.511001 -0.363818
C -4.665990 -0.943135 -0.329615
C 4.270359 -0.618248 0.403643
C 4.464059 0.704139 -0.057944
C -5.222147 2.403744 1.119780
C -7.071035 -0.654230 -0.337287
C 6.316236 -1.039867 1.586229
C 6.496879 0.797521 -1.283904
H 0.405087 -1.623876 1.122217
H -0.555048 0.452086 1.644640
H 0.959173 -2.374535 -1.262794
H 0.156001 -0.921622 -1.882334
H -1.133679 -3.202700 -0.238372
H -1.454646 -2.781786 -1.925824
H -2.810488 1.566314 1.088577
H 1.036236 2.780461 -1.006953
H -3.857078 -2.702504 -1.247474
H 2.847706 -2.166387 0.860398
H 3.533266 2.533141 -0.703222
H -4.675246 2.949102 0.344539
H -4.686856 2.410394 2.073527
H -6.239681 2.795561 1.236469
H -7.028897 0.290136 -0.888991
H -7.133456 -0.474251 0.741889
H -7.884917 -1.296698 -0.689982
H 6.694648 -0.053430 1.293265
H 7.084493 -1.814507 1.489592
H 5.895435 -1.017576 2.595433
H 6.615128 -0.289578 -1.226830
H 7.452867 1.316202 -1.155120
H 6.005680 1.096367 -2.213674


%chk=000296521-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296521

0 1
O -5.508981 1.011038 1.005201
O -6.050513 -1.481724 -0.280505
O 5.393656 -1.389343 0.705123
O 5.780729 1.316445 -0.362324
N -0.368457 1.521775 -0.312363
C 0.459698 -0.880640 0.193813
C -0.583198 0.243084 0.460642
C 0.107937 -1.644321 -1.114014
C -1.238887 -2.373301 -0.941939
C -2.022004 -0.228313 0.234273
C 1.873725 -0.317575 0.139679
C -2.330698 -1.447614 -0.417926
C 2.059372 1.013363 -0.335285
C -3.071602 0.606069 0.691344
C 0.863559 1.825239 -0.638225
C -3.693173 -1.797353 -0.589063
C 3.004470 -1.087322 0.476253
C -4.424206 0.245300 0.533423
C 3.366687 1.530426 -0.505756
C -4.743335 -0.982377 -0.128926
C 4.309734 -0.559932 0.347890
C 4.494551 0.751515 -0.185795
C -5.192828 2.251305 1.716540
C -7.057101 -0.593413 -0.897343
C 6.274732 -0.854028 1.772087
C 6.616114 0.628469 -1.375800
H 0.392821 -1.610670 1.026076
H -0.483631 0.549832 1.526670
H 0.909787 -2.368932 -1.349251
H 0.053558 -0.926604 -1.955560
H -1.100525 -3.220596 -0.236744
H -1.558780 -2.820827 -1.902088
H -2.802977 1.555434 1.165007
H 1.014798 2.782868 -1.162186
H -3.970086 -2.728575 -1.096050
H 2.899811 -2.106566 0.864722
H 3.526321 2.543227 -0.893170
H -4.653443 2.965028 1.064068
H -4.588910 2.049986 2.622587
H -6.166828 2.673362 2.005802
H -6.739396 -0.300637 -1.917337
H -7.221586 0.305817 -0.281962
H -7.973623 -1.200949 -0.952413
H 6.676481 0.136882 1.496201
H 7.086416 -1.589862 1.874484
H 5.710500 -0.779838 2.720617
H 6.750873 -0.438553 -1.121331
H 7.583267 1.153462 -1.363446
H 6.150471 0.719341 -2.375304


