%chk=000116854.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000116854

0 1
O -3.424256 -1.643078 0.661893
O -3.946611 0.331313 -0.382974
N 0.912114 0.054100 1.135888
N -1.764126 -0.180720 0.355318
C 0.314033 1.118410 0.343442
C 2.048674 -0.617296 0.581486
C 0.887659 0.346145 2.603130
C -1.055431 0.996589 -0.027298
C 2.219155 -0.656138 -0.818155
C 1.039212 2.249673 -0.054629
C 2.931168 -1.343732 1.409667
C 1.893779 1.398700 3.062403
C 3.252421 -1.414697 -1.380090
C -1.666142 2.028973 -0.760135
C 3.954429 -2.095547 0.832164
C 0.422664 3.263011 -0.790882
C 4.127187 -2.137183 -0.552043
C -0.927924 3.151465 -1.134258
C 3.411367 -1.454573 -2.866439
C -3.126933 -0.395464 0.137071
C -4.800635 -2.114576 0.482366
C -5.009776 -2.571150 -0.944873
H -0.147716 0.671106 2.857744
H 1.059975 -0.615605 3.139104
H 1.542288 -0.108578 -1.470627
H 2.094878 2.328863 0.209350
H 2.819160 -1.334807 2.489560
H 2.916456 1.151544 2.749899
H 1.659501 2.389817 2.654468
H 1.897593 1.489629 4.154559
H -2.724001 1.952702 -1.039446
H 4.631131 -2.658197 1.475961
H 0.993863 4.137744 -1.094721
H 4.930133 -2.725759 -0.983877
H -1.216433 -0.936073 0.796047
H -1.412837 3.945399 -1.702896
H 2.584442 -2.010713 -3.332486
H 3.407022 -0.445339 -3.301344
H 4.344559 -1.938314 -3.181328
H -4.819260 -2.941581 1.216613
H -5.490371 -1.303967 0.778363
H -5.975616 -3.074800 -1.068830
H -4.991024 -1.718553 -1.641838
H -4.224371 -3.267641 -1.266427


%chk=000116854-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000116854

0 1
O -3.207638 -1.626132 0.661860
O -3.917973 0.368185 -0.380550
N 0.940903 0.233892 1.092827
N -1.680974 -0.002982 0.313116
C 0.355150 1.295432 0.299907
C 1.975305 -0.581156 0.549646
C 0.773185 0.374765 2.565045
C -1.024013 1.190415 -0.065244
C 2.167423 -0.644158 -0.860990
C 1.092850 2.435491 -0.087777
C 2.802893 -1.391701 1.382052
C 1.795943 1.319285 3.237700
C 3.144195 -1.486186 -1.440422
C -1.649832 2.244712 -0.779879
C 3.774658 -2.233116 0.802712
C 0.477339 3.478660 -0.814166
C 3.955827 -2.287285 -0.596735
C -0.894330 3.378549 -1.146122
C 3.300888 -1.540334 -2.952026
C -3.011942 -0.334281 0.137236
C -4.582574 -2.180368 0.507375
C -4.756280 -2.843975 -0.861677
H -0.248181 0.760332 2.740248
H 0.815495 -0.630071 3.025340
H 1.539073 -0.028937 -1.514669
H 2.153934 2.488575 0.179485
H 2.701498 -1.369367 2.470545
H 2.831333 0.971344 3.078323
H 1.707049 2.342088 2.831246
H 1.610790 1.367471 4.326871
H -2.706988 2.158343 -1.040309
H 4.403486 -2.848125 1.457269
H 1.057142 4.359541 -1.108893
H 4.718666 -2.942265 -1.032413
H -1.072936 -0.710363 0.742780
H -1.383527 4.187594 -1.699916
H 2.431851 -2.035623 -3.426224
H 3.374788 -0.527276 -3.388576
H 4.204801 -2.103037 -3.242500
H -4.661975 -2.906246 1.332566
H -5.309673 -1.361435 0.649922
H -5.751401 -3.323154 -0.921343
H -4.686286 -2.095763 -1.669060
H -3.988541 -3.620236 -1.023682


