%chk=000212910.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212910

0 1
O 1.615055 1.929879 -0.861594
O -0.339799 1.420714 -2.729431
O 3.125405 1.724852 0.857223
N 3.790904 2.198396 -1.334308
C -0.181952 0.298623 -0.503118
C -1.640271 0.433540 -0.068688
C 0.402406 -1.001794 0.043115
C 0.505260 1.582089 0.025531
C -0.013894 0.203826 -2.050170
C -2.597713 1.022062 -0.907723
C -0.243174 -2.209866 -0.286325
C -2.029236 0.008344 1.211399
C 1.548819 -1.050773 0.841974
C -3.920284 1.161755 -0.486453
C 0.255321 -3.430789 0.160135
C -3.350980 0.149287 1.637190
C 2.052256 -2.275069 1.293664
C -4.309881 0.724580 0.789755
C 1.414360 -3.474889 0.955429
C -5.729342 0.877735 1.230850
C 1.943803 -4.789072 1.429759
C 2.895724 1.931736 -0.318149
C 5.227693 2.356878 -1.033322
H 0.856494 1.486024 1.069337
H -0.154093 2.466952 -0.070314
H -0.722892 -0.522076 -2.489612
H 1.024922 -0.077946 -2.301642
H -2.308272 1.383276 -1.901613
H -1.153337 -2.190480 -0.886992
H -1.297465 -0.443632 1.882937
H 2.072921 -0.134389 1.133913
H -4.651890 1.614720 -1.152337
H -0.255933 -4.353971 -0.104509
H -3.634406 -0.190235 2.631035
H 2.947218 -2.285818 1.913336
H 0.308642 2.124222 -2.496228
H -5.901240 0.503727 2.248149
H -6.038567 1.932640 1.218411
H -6.413118 0.330482 0.566216
H 2.183500 -5.450691 0.585290
H 2.858081 -4.687176 2.028474
H 1.206186 -5.312533 2.054816
H 3.474175 2.373824 -2.281147
H 5.438076 2.117306 0.028499
H 5.556629 3.393810 -1.218671
H 5.823587 1.670520 -1.659693


%chk=000212910-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212910

0 1
O 1.731655 1.703049 -1.004972
O -0.342750 1.352738 -2.916409
O 2.977938 2.109247 0.965104
N 3.943618 2.200093 -1.176968
C -0.252074 0.212651 -0.627552
C -1.705998 0.394176 -0.118232
C 0.380611 -1.071931 -0.054590
C 0.476793 1.519289 -0.210629
C -0.182051 0.082563 -2.198110
C -2.694914 1.025964 -0.919385
C -0.238900 -2.320220 -0.341013
C -2.062192 0.006978 1.197970
C 1.563283 -1.089458 0.723297
C -3.999615 1.230806 -0.424143
C 0.305272 -3.532414 0.124137
C -3.368523 0.222373 1.690958
C 2.105187 -2.309772 1.193142
C -4.363538 0.834151 0.889287
C 1.494051 -3.552236 0.901805
C -5.772075 1.061904 1.411372
C 2.075304 -4.862007 1.406217
C 2.911808 2.020082 -0.288091
C 5.301849 2.530105 -0.735761
H 0.725655 1.545036 0.862837
H -0.159119 2.384510 -0.457669
H -1.000838 -0.560626 -2.558690
H 0.784097 -0.385982 -2.465651
H -2.433644 1.367256 -1.926838
H -1.173443 -2.338033 -0.914655
H -1.319003 -0.483983 1.836363
H 2.074829 -0.158919 0.989278
H -4.747883 1.714153 -1.065453
H -0.201220 -4.477045 -0.111376
H -3.617702 -0.091548 2.712114
H 3.018416 -2.288846 1.800604
H 0.479870 1.883781 -2.753572
H -5.876192 0.721213 2.455968
H -6.045553 2.133340 1.376979
H -6.519286 0.517395 0.803449
H 2.323608 -5.541464 0.569017
H 2.997232 -4.696062 1.989699
H 1.357198 -5.397424 2.055713
H 3.740162 2.076136 -2.168793
H 5.285783 2.636466 0.360281
H 5.644693 3.482598 -1.179656
H 6.017299 1.730515 -1.002988


