%chk=000246831.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246831

0 1
O 0.219074 -1.857581 0.128128
N 1.578674 -0.286217 -0.798633
C 3.907603 0.827238 0.599093
C 3.537887 -0.657117 0.720398
C 2.670804 1.683367 0.291178
C 2.765548 -1.147157 -0.516011
C 1.934762 1.148893 -0.950992
C 0.333625 -0.711117 -0.278146
C -0.829636 0.257102 -0.365966
C -2.139391 -0.431813 0.039504
C -3.325269 0.536750 -0.019920
C -4.631702 -0.159876 0.387072
C -5.822093 0.794871 0.333387
H 4.382486 1.174738 1.535853
H 4.665509 0.961926 -0.196605
H 4.448421 -1.269261 0.856501
H 2.923455 -0.820895 1.628156
H 1.989542 1.684327 1.163607
H 2.965119 2.736363 0.129030
H 3.414193 -1.136511 -1.417754
H 2.421447 -2.198666 -0.367004
H 1.034272 1.757664 -1.167254
H 2.591036 1.235272 -1.848463
H -0.642407 1.129457 0.292062
H -0.918254 0.655200 -1.397533
H -2.317033 -1.306802 -0.618696
H -2.034126 -0.859118 1.057908
H -3.426713 0.952692 -1.040635
H -3.142917 1.404152 0.642835
H -4.817538 -1.027727 -0.276177
H -4.532755 -0.578128 1.408241
H -6.748716 0.287231 0.624561
H -5.972297 1.197308 -0.674737
H -5.688510 1.646132 1.010310


%chk=000246831-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246831

0 1
O 0.122331 -1.981032 0.142194
N 1.567315 -0.234768 -0.376007
C 4.194087 0.843781 0.331817
C 3.806361 -0.619731 0.653133
C 2.934577 1.741286 0.292529
C 2.741038 -1.138088 -0.338967
C 1.883078 1.173087 -0.692831
C 0.293728 -0.749062 -0.130808
C -0.893425 0.228872 -0.202638
C -2.243615 -0.473226 0.043504
C -3.434013 0.509422 -0.007626
C -4.796328 -0.183364 0.225368
C -5.987851 0.797366 0.180599
H 4.916918 1.227256 1.076189
H 4.699259 0.880273 -0.656150
H 4.695741 -1.276992 0.607956
H 3.400843 -0.682297 1.681820
H 2.487072 1.797158 1.304416
H 3.198458 2.772424 -0.012513
H 3.179736 -1.197800 -1.358425
H 2.372179 -2.138404 -0.061135
H 0.966164 1.780345 -0.666715
H 2.290575 1.227188 -1.726354
H -0.754206 1.036624 0.545777
H -0.908747 0.725874 -1.194506
H -2.379359 -1.274141 -0.707566
H -2.213322 -0.984776 1.023635
H -3.453321 1.024596 -0.991899
H -3.296004 1.304409 0.756166
H -4.936048 -0.974599 -0.538993
H -4.776964 -0.700902 1.205999
H -6.948422 0.276650 0.349794
H -6.047324 1.305251 -0.800938
H -5.886410 1.580018 0.956474


