%chk=000235301.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235301

0 1
O 2.035947 0.858661 0.000008
O -4.627442 1.900142 -0.000234
O -4.539186 -2.719877 0.000342
O 3.592414 2.497647 0.000388
N -1.530867 1.784361 0.000273
N -2.494074 -1.664678 0.000755
N -4.586608 -0.404856 0.000196
N -0.436985 -0.231204 0.000727
N 4.601835 -2.238162 -0.000490
C -2.514938 0.781589 0.000392
C -1.807871 -0.453192 0.000635
C -0.296199 1.137762 0.000525
C -3.956261 0.886711 0.000184
C -3.923569 -1.671424 0.000513
C 1.000275 1.880639 0.000516
C -1.833255 3.216960 0.000237
C -1.747838 -2.946339 0.000885
C -6.075132 -0.464494 -0.000087
C 3.343166 1.313627 -0.000077
C 4.256356 0.158007 -0.000277
C 5.643710 0.377781 -0.000406
C 3.769849 -1.169347 -0.000337
C 6.500860 -0.722981 -0.000593
C 5.943918 -2.013404 -0.000629
H 1.129301 2.504097 -0.909100
H 1.129602 2.503529 0.910479
H -0.921780 3.833310 -0.000094
H -2.446148 3.482579 -0.887474
H -2.445631 3.482758 0.888241
H -2.453988 -3.798800 0.000912
H -1.104307 -3.013410 0.896517
H -1.104190 -3.013555 -0.894652
H -6.494799 0.559326 -0.001568
H -6.438118 -0.998736 0.895035
H -6.437689 -1.001181 -0.893928
H 6.034355 1.399967 -0.000353
H 2.684179 -1.374825 -0.000211
H 7.580716 -0.587766 -0.000694
H 6.578796 -2.909323 -0.000753


%chk=000235301-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000235301

0 1
O 2.016642 0.731216 0.001758
O -4.678987 1.994291 -0.001243
O -4.703063 -2.724703 0.000423
O 3.586105 2.456904 0.001065
N -1.565877 1.743014 0.000354
N -2.609541 -1.663363 0.001078
N -4.659618 -0.380298 -0.000362
N -0.540837 -0.304423 0.001597
N 4.853004 -2.264008 -0.000660
C -2.584325 0.774185 0.000251
C -1.919978 -0.461316 0.000993
C -0.361504 1.044550 0.001183
C -4.017388 0.908496 -0.000481
C -4.025436 -1.658070 0.000424
C 0.963050 1.756765 0.001619
C -1.779282 3.201205 -0.000158
C -1.880277 -2.947004 0.001859
C -6.140836 -0.410425 -0.001099
C 3.325902 1.228271 0.002216
C 4.323016 0.126131 0.000637
C 5.702505 0.454737 -0.000943
C 3.946257 -1.244579 0.000689
C 6.647109 -0.590212 -0.002339
C 6.178966 -1.926343 -0.002153
H 1.084513 2.404275 -0.889310
H 1.084082 2.404033 0.892786
H -0.806875 3.717280 -0.000426
H -2.354039 3.500594 -0.891063
H -2.353884 3.501281 0.890625
H -2.627869 -3.753212 0.001815
H -1.241361 -3.018281 0.897799
H -1.240566 -3.018922 -0.893462
H -6.488798 0.632701 -0.002032
H -6.508254 -0.941508 0.892063
H -6.507306 -0.942858 -0.893838
H 6.001313 1.508030 -0.000999
H 2.888789 -1.526409 0.001935
H 7.721212 -0.382833 -0.003560
H 6.881838 -2.767292 -0.003239


