%chk=000203170.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203170

0 1
O 2.479583 -0.473244 -2.564824
O -3.883967 -0.348670 -0.312139
O -1.233436 -0.553115 2.866034
O -3.720010 -0.089844 1.924648
N 5.187288 -0.248884 -0.256157
N 2.428613 -0.694949 -0.262824
C 7.213181 1.198615 1.289121
C 5.880382 1.843221 0.890214
C 7.054360 -0.323816 1.378697
C 5.341122 1.237255 -0.415022
C 6.499558 -0.903346 0.066904
C 4.590276 -0.845721 -1.488980
C 3.074140 -0.634095 -1.519022
C 1.035250 -0.576596 -0.022804
C -7.211675 1.460870 -0.323364
C -5.701321 1.261114 -0.162385
C -7.588086 2.947573 -0.249759
C -5.333704 -0.219042 -0.222611
C 0.610367 -0.612779 1.319781
C 0.093154 -0.440423 -1.065840
C -1.724323 -0.369859 0.564938
C -0.762466 -0.511518 1.590328
C -1.256870 -0.341862 -0.765910
C -9.091856 3.157080 -0.411838
C -3.155121 -0.249565 0.868416
H 7.998481 1.458668 0.554046
H 7.556970 1.603474 2.259361
H 5.999219 2.935985 0.768626
H 5.138193 1.700151 1.700778
H 6.371983 -0.578744 2.214143
H 8.023901 -0.801293 1.612319
H 6.005782 1.510154 -1.263064
H 4.338583 1.663491 -0.639850
H 6.318715 -1.993371 0.189868
H 7.248066 -0.784177 -0.745912
H 5.009559 -0.445971 -2.442087
H 4.775242 -1.945538 -1.514043
H 3.038146 -0.763439 0.569624
H -7.753010 0.900126 0.463880
H -7.551751 1.036502 -1.287715
H -5.148169 1.814386 -0.946535
H -5.354804 1.685667 0.803556
H -7.044557 3.513053 -1.031838
H -7.253187 3.371881 0.717559
H -5.692100 -0.781568 0.657482
H -5.650948 -0.711265 -1.158746
H 1.320075 -0.717284 2.131586
H 0.428736 -0.411351 -2.108513
H -9.350981 4.220343 -0.356107
H -9.658031 2.640798 0.371916
H -9.450938 2.782035 -1.376821
H -1.991504 -0.237979 -1.574618
H -0.509409 -0.650533 3.538802


%chk=000203170-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203170

0 1
O 2.623944 -0.750501 -2.951588
O -3.809356 -0.291695 -0.317924
O -0.870742 -0.044897 2.805934
O -3.495426 0.126480 1.957533
N 5.204045 -0.289071 -0.359051
N 2.568767 -0.531418 -0.591109
C 6.956846 0.974382 1.643040
C 5.733076 1.709919 1.050765
C 6.738771 -0.555428 1.591986
C 5.414012 1.190121 -0.364703
C 6.398842 -1.015139 0.160289
C 4.727164 -0.784266 -1.673649
C 3.190678 -0.673620 -1.823232
C 1.194423 -0.434043 -0.287000
C -7.271161 1.426033 -0.147012
C -5.735113 1.294083 -0.267719
C -7.762693 2.880544 -0.329298
C -5.276434 -0.162280 -0.106211
C 0.830303 -0.286728 1.075180
C 0.177664 -0.478734 -1.281610
C -1.561123 -0.221530 0.474304
C -0.525649 -0.181535 1.458833
C -1.163327 -0.373644 -0.883856
C -9.295835 3.015927 -0.209064
C -3.000341 -0.102649 0.828370
H 7.862016 1.236631 1.057397
H 7.140304 1.303730 2.682734
H 5.914848 2.800249 1.005325
H 4.851316 1.549628 1.702411
H 5.904424 -0.834618 2.265059
H 7.641450 -1.091143 1.941814
H 6.249815 1.459381 -1.057397
H 4.496828 1.668823 -0.755440
H 6.177257 -2.098424 0.147159
H 7.285157 -0.844252 -0.500409
H 5.182634 -0.258475 -2.540335
H 4.983681 -1.856017 -1.776735
H 3.282175 -0.476107 0.164791
H -7.599526 1.053031 0.845357
H -7.762466 0.778996 -0.904096
H -5.403432 1.671989 -1.254685
H -5.244402 1.914460 0.505901
H -7.433113 3.254077 -1.320311
H -7.271469 3.526710 0.426021
H -5.527646 -0.544125 0.900107
H -5.715189 -0.813566 -0.881493
H 1.613434 -0.257798 1.845854
H 0.455338 -0.593134 -2.330353
H -9.621282 4.063258 -0.348741
H -9.647094 2.683100 0.785879
H -9.809580 2.398012 -0.969799
H -1.954048 -0.407790 -1.636808
H -0.056065 -0.044335 3.370880


