%chk=000179180.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179180

0 1
O -0.040043 -1.669226 -0.030678
O 3.817290 1.526797 0.001213
O -1.028106 -3.368223 -1.211433
N -1.842176 -1.156990 -1.286993
N 0.570511 -3.078282 2.922567
C -4.237819 -1.634134 -0.670105
C -3.198406 -1.494049 -1.794416
C -4.439403 -0.340503 0.069772
C 2.335522 -1.862373 0.177015
C 1.019668 -2.582523 0.386001
C -5.292869 0.643981 -0.451665
C -3.764602 -0.105611 1.277143
C 2.378028 -0.464616 0.164455
C 3.617418 0.151792 -0.037230
C 3.500953 -2.620254 0.005272
C -1.022789 -2.204220 -0.877361
C 4.804206 -0.581379 -0.208208
C 4.729773 -1.972802 -0.179131
C -5.468351 1.850438 0.230908
C -3.944058 1.103290 1.955282
C -4.794208 2.083487 1.434094
C 2.775624 2.393019 -0.352355
C 0.772665 -2.859779 1.808218
C 1.914812 2.153802 -1.428255
C 2.743940 3.576921 0.398195
C 0.986706 3.146329 -1.756459
C 1.810480 4.551906 0.043786
C 0.931724 4.338197 -1.026084
H -3.937824 -2.445289 0.027326
H -5.198709 -1.983541 -1.104551
H -3.142771 -2.440305 -2.384479
H -3.489339 -0.681287 -2.500136
H 0.949779 -3.531237 -0.220913
H -1.772702 -0.271981 -0.771183
H 1.466665 0.116918 0.312693
H -5.822806 0.468675 -1.385394
H -3.106804 -0.865945 1.695932
H 3.462889 -3.707872 0.017682
H 5.747907 -0.058551 -0.353524
H 5.637432 -2.564778 -0.306289
H -6.133991 2.610939 -0.175059
H -3.419958 1.279788 2.894282
H -4.933238 3.023391 1.964523
H 1.973999 1.230329 -1.999884
H 3.437397 3.717690 1.224473
H 0.305124 2.988304 -2.592327
H 1.764737 5.484040 0.607174
H 0.205721 5.104018 -1.290996


%chk=000179180-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179180

0 1
O -0.322625 -1.127324 0.546096
O 4.547231 1.436121 -0.869315
O -0.702444 -3.363348 -0.143888
N -2.243955 -1.630954 -0.559684
N 1.277194 -0.406398 3.457010
C -4.569201 -2.576628 -0.332156
C -3.281644 -2.452370 -1.198621
C -5.235633 -1.231589 -0.080430
C 2.119915 -1.263953 0.090892
C 1.007110 -1.583256 1.080725
C -6.142963 -0.684902 -1.025888
C -4.928615 -0.472056 1.079480
C 2.781345 -0.013754 0.109253
C 3.778070 0.250295 -0.856337
C 2.460673 -2.243049 -0.875150
C -1.081550 -2.164386 -0.075121
C 4.131384 -0.719134 -1.822128
C 3.468777 -1.964487 -1.824257
C -6.727168 0.585136 -0.820876
C -5.509757 0.800471 1.287453
C -6.410275 1.333793 0.336943
C 4.006930 2.671300 -0.416450
C 1.154729 -0.923557 2.390111
C 2.683237 3.074304 -0.708342
C 4.903700 3.530674 0.253183
C 2.256747 4.358790 -0.303874
C 4.463954 4.813907 0.646186
C 3.139966 5.231544 0.374020
H -4.301462 -3.064885 0.622791
H -5.261888 -3.254320 -0.867009
H -2.844489 -3.450436 -1.370463
H -3.537452 -2.011527 -2.180900
H 0.936080 -2.680204 1.221953
H -2.423696 -0.639861 -0.386088
H 2.536575 0.733207 0.871788
H -6.400726 -1.262853 -1.922709
H -4.243430 -0.885516 1.829869
H 1.931459 -3.201817 -0.884954
H 4.918200 -0.483400 -2.544634
H 3.740127 -2.719230 -2.569590
H -7.431367 0.987725 -1.557799
H -5.264379 1.369986 2.190911
H -6.864787 2.317396 0.499303
H 2.004689 2.405654 -1.247318
H 5.922324 3.185315 0.453036
H 1.232819 4.678406 -0.526787
H 5.155371 5.484036 1.168432
H 2.800896 6.225435 0.684230


