%chk=000201024.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201024

0 1
O -1.568673 0.011859 -1.183795
O 4.796871 0.212280 -0.573800
N -0.590492 0.016147 0.898767
C -3.050812 -0.077802 0.745861
C -3.580860 -1.524065 0.686211
C -4.012050 0.937587 0.103719
C -3.893245 -2.017336 -0.733126
C -3.668295 2.381370 0.494642
C -1.697941 -0.010703 0.025085
C -4.240053 -3.503474 -0.745850
C -4.635199 3.376155 -0.142703
C 0.791699 0.063696 0.515840
C 1.752668 0.057049 1.541342
C 1.198249 0.119177 -0.836723
C 3.116290 0.105731 1.233066
C 2.547075 0.167341 -1.150811
C 3.502035 0.160430 -0.109779
C 5.880183 0.210045 0.409234
C 7.125973 0.273852 -0.452922
H -2.934555 0.191190 1.826047
H -2.841395 -2.201723 1.158295
H -4.493655 -1.595381 1.310357
H -5.051622 0.701454 0.400666
H -3.980230 0.831434 -1.002218
H -3.025897 -1.823840 -1.401754
H -4.729310 -1.432490 -1.163041
H -3.687864 2.495434 1.595563
H -2.631684 2.618862 0.179478
H -5.107002 -3.725916 -0.114458
H -3.404724 -4.117646 -0.390378
H -4.479247 -3.840458 -1.761583
H -5.669855 3.194999 0.168784
H -4.383085 4.405983 0.134864
H -4.607090 3.318426 -1.237792
H -0.759229 -0.016496 1.904443
H 1.451509 0.014207 2.586050
H 0.446826 0.123483 -1.636956
H 3.844662 0.100053 2.036504
H 2.887019 0.210411 -2.184562
H 5.764291 1.094015 1.059188
H 5.815343 -0.720336 0.998699
H 8.035921 0.278648 0.156575
H 7.177624 -0.582521 -1.140255
H 7.128625 1.176065 -1.080976


%chk=000201024-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201024

0 1
O -1.659785 0.421906 -1.293300
O 4.919328 0.186471 -0.627884
N -0.577062 0.087629 0.761852
C -3.040871 0.038944 0.719207
C -3.463657 -1.468535 0.704108
C -4.130041 0.971251 0.137160
C -3.806616 -2.047757 -0.688110
C -3.894879 2.464153 0.459376
C -1.710910 0.216976 -0.041283
C -4.134143 -3.554842 -0.616632
C -4.992302 3.376598 -0.129129
C 0.800196 0.117259 0.387956
C 1.766779 -0.026682 1.414375
C 1.238097 0.281398 -0.956669
C 3.147818 -0.011021 1.124974
C 2.613591 0.297623 -1.244871
C 3.576651 0.152974 -0.215518
C 5.958942 0.042169 0.407358
C 7.306824 0.123515 -0.304496
H -2.879717 0.318218 1.784692
H -2.653684 -2.079663 1.155173
H -4.345934 -1.577173 1.368468
H -5.117691 0.656763 0.532639
H -4.156805 0.840141 -0.960757
H -2.961742 -1.876463 -1.380766
H -4.670768 -1.503094 -1.114405
H -3.847742 2.602510 1.559872
H -2.909152 2.770920 0.056944
H -4.993027 -3.747384 0.054763
H -3.271610 -4.131270 -0.230983
H -4.388795 -3.958056 -1.613774
H -5.990159 3.105849 0.265429
H -4.809141 4.439301 0.114328
H -5.030079 3.284219 -1.230531
H -0.754031 -0.050554 1.759835
H 1.442799 -0.153260 2.455919
H 0.495998 0.395983 -1.748354
H 3.864939 -0.126342 1.942469
H 2.964838 0.423473 -2.273561
H 5.851476 0.853873 1.157141
H 5.835338 -0.933042 0.923252
H 8.130773 0.022560 0.425256
H 7.400550 -0.681851 -1.052790
H 7.414204 1.091510 -0.822937


