%chk=000193656.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193656

0 1
O 1.427701 -1.914793 0.308368
O -2.900112 0.825678 -1.226445
O -1.626938 1.423590 0.598606
O 6.232664 3.845142 0.414977
O 7.107028 1.903412 0.038835
N -1.678725 -0.759950 -0.193075
N 1.012379 0.294606 0.819079
N 0.033746 -5.866188 -0.863565
N 1.764018 -6.284225 -2.402002
N 2.236032 -4.788626 -0.584068
N 6.157377 2.633331 0.278102
C -0.872588 -1.313330 0.914295
C -1.147745 -2.813149 1.111913
C -0.928612 -3.669397 -0.139533
C 0.636951 -1.050557 0.627558
C -0.625606 -5.137398 0.227932
C -2.044522 0.579981 -0.183857
C 2.319839 0.831543 0.660933
C 3.445797 0.029649 0.385518
C 2.459461 2.234213 0.809249
C -3.427316 2.196188 -1.334763
C -4.623740 2.343120 -0.442687
C 4.697601 0.620197 0.261382
C 3.711530 2.818369 0.684495
C 1.267275 -5.620049 -1.226522
C 4.832275 2.011850 0.410429
C -5.915056 2.160498 -0.957373
C -4.448916 2.666652 0.911495
C -7.025829 2.313594 -0.122447
C -5.561913 2.816942 1.741659
C -6.850723 2.643206 1.225347
H -1.140679 -0.775848 1.872953
H -2.185053 -2.947794 1.482627
H -0.488262 -3.174060 1.932899
H -0.095123 -3.253810 -0.744661
H -1.814162 -3.639485 -0.802413
H -0.041505 -5.195420 1.174225
H -1.579112 -5.686533 0.414548
H -2.043591 -1.398203 -0.900406
H 0.259315 0.989923 1.023702
H 3.338124 -1.054868 0.268291
H 1.590093 2.858391 1.018989
H -3.665842 2.228003 -2.415763
H -2.618572 2.912883 -1.097363
H 5.584717 0.011196 0.048047
H 3.840713 3.901795 0.795882
H -6.056813 1.896746 -2.004533
H -3.439270 2.789436 1.313849
H -8.028886 2.174277 -0.523150
H -5.425395 3.070048 2.792161
H 1.097040 -6.952511 -2.790549
H 2.666327 -6.732958 -2.273657
H 1.854745 -4.013166 -0.037878
H 3.000792 -4.462436 -1.165299
H -7.717740 2.763493 1.873564


%chk=000193656-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000193656

0 1
O 1.516973 -2.171721 0.716987
O -2.877099 0.657964 -1.109745
O -1.469884 1.330230 0.660677
O 6.040189 4.039107 0.246201
O 7.117491 2.028952 0.141235
N -1.659775 -0.906478 0.008470
N 1.030696 0.121081 0.905388
N 0.123623 -5.951622 -0.799278
N 1.499467 -6.232132 -2.673135
N 2.059667 -4.510859 -1.165283
N 6.047064 2.745132 0.262244
C -0.841791 -1.457733 1.114109
C -1.165550 -2.950346 1.321114
C -0.974652 -3.833234 0.054035
C 0.688416 -1.224830 0.880093
C -0.259156 -5.174225 0.391263
C -1.970352 0.423815 -0.086966
C 2.303330 0.712338 0.737083
C 3.508346 -0.037187 0.607388
C 2.351620 2.137797 0.711272
C -3.330528 2.090202 -1.286744
C -4.574596 2.376742 -0.477898
C 4.732958 0.634503 0.452885
C 3.572937 2.808017 0.557251
C 1.181640 -5.557320 -1.480985
C 4.757684 2.046595 0.427218
C -5.858756 2.215621 -1.057303
C -4.470581 2.810676 0.869566
C -7.023441 2.479441 -0.302847
C -5.634443 3.073267 1.624656
C -6.912595 2.908930 1.040279
H -1.109617 -0.888164 2.027234
H -2.199875 -3.028371 1.705222
H -0.497281 -3.317491 2.122335
H -0.357857 -3.301910 -0.694396
H -1.944616 -4.063603 -0.427312
H 0.611234 -4.931331 1.046842
H -0.941154 -5.802971 0.994522
H -2.062555 -1.554141 -0.672272
H 0.219588 0.772882 0.997825
H 3.466778 -1.126448 0.633617
H 1.422775 2.710653 0.811220
H -3.515721 2.148647 -2.370200
H -2.489003 2.742485 -0.998486
H 5.671724 0.083172 0.353758
H 3.630282 3.899061 0.534029
H -5.945155 1.881975 -2.098726
H -3.477555 2.927998 1.317926
H -8.011571 2.354629 -0.759087
H -5.546923 3.409144 2.663783
H 0.880495 -7.012263 -2.888301
H 2.471925 -6.306274 -2.968006
H 1.883829 -3.901660 -0.362902
H 2.701701 -4.162208 -1.873846
H -7.815156 3.116664 1.625893


