%chk=000298042.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298042

0 1
O -0.723471 1.331942 1.090757
O -2.091848 0.252784 3.146737
O 0.773076 3.444563 -1.027647
O 1.911720 2.573136 0.716547
O 5.115024 -0.939898 0.770377
N -2.816272 -1.550043 -0.043316
N 0.416292 0.077515 -0.583212
C -2.389064 0.902691 -0.599058
C -2.078058 -0.586813 -0.936113
C -2.176473 1.180004 0.914981
C -1.239223 1.753562 -1.197680
C -0.089940 1.411054 -0.216251
C -0.616497 -0.900235 -0.797154
C -2.685767 0.078734 1.860235
C -3.791880 1.314273 -1.055628
C -2.428940 -1.365033 1.393206
C -0.128254 -2.174819 -0.634324
C -2.521626 -2.954091 -0.492125
C -1.023692 -3.358540 -0.642685
C 1.576570 -0.650971 -0.189249
C 1.275535 -2.056940 -0.298027
C 1.004143 2.485455 -0.067773
C -3.955444 1.343221 -2.572037
C 2.853432 -0.200502 0.166160
C 2.282888 -3.005116 -0.068422
C 3.813859 -1.184162 0.398621
C 3.552565 -2.577440 0.278051
C 1.690198 4.573537 -1.054168
C 5.514278 0.437492 0.980825
H -2.415749 -0.784090 -1.990238
H -2.582320 2.166644 1.230818
H -1.468392 2.834321 -1.193840
H -0.999695 1.497426 -2.243602
H -3.773880 0.236907 2.060903
H -4.049324 2.309036 -0.640201
H -4.526539 0.600881 -0.618834
H -1.368294 -1.633838 1.605182
H -3.051652 -2.054820 2.004990
H -3.034223 -3.081895 -1.470995
H -3.021336 -3.649655 0.213984
H -0.893176 -3.936090 -1.580201
H -0.732740 -4.047843 0.176264
H -3.323648 2.106579 -3.039628
H -3.700188 0.376726 -3.025854
H -4.993789 1.564820 -2.848414
H -1.108178 0.336114 3.062074
H 3.071542 0.856147 0.283041
H 2.059188 -4.066657 -0.165031
H 4.362291 -3.277315 0.467739
H 1.204109 5.256194 -1.759560
H 2.663372 4.231983 -1.419421
H 1.778438 5.010715 -0.053778
H 4.901457 0.897011 1.763366
H 5.454625 0.993832 0.041321
H 6.554564 0.322107 1.309389


%chk=000298042-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298042

0 1
O -0.812043 1.288719 1.247837
O -2.287519 0.084851 3.303307
O 1.373610 2.773756 -1.302782
O 1.319546 3.091288 1.004743
O 5.107904 -0.635571 0.823626
N -2.795904 -1.598857 -0.048394
N 0.322320 0.136312 -0.549411
C -2.496137 0.899947 -0.483179
C -2.138227 -0.558866 -0.909199
C -2.294613 1.083228 1.048776
C -1.375714 1.835580 -1.016202
C -0.189483 1.434250 -0.098518
C -0.652181 -0.836861 -0.876033
C -2.770555 -0.087469 1.929299
C -3.929798 1.296430 -0.916618
C -2.370131 -1.470694 1.375505
C -0.109626 -2.108653 -0.805341
C -2.520953 -2.946100 -0.629860
C -0.989739 -3.337227 -0.803398
C 1.527682 -0.537898 -0.244241
C 1.287950 -1.946436 -0.435735
C 0.908880 2.507524 -0.014603
C -4.130833 1.478387 -2.437506
C 2.781849 -0.036128 0.170996
C 2.352943 -2.858920 -0.216089
C 3.810947 -0.978631 0.392883
C 3.604516 -2.376194 0.195146
C 2.447619 3.793255 -1.399362
C 5.379229 0.777039 1.084506
H -2.531883 -0.715294 -1.932261
H -2.782633 2.015494 1.395368
H -1.644933 2.893298 -0.842673
H -1.128405 1.694671 -2.078777
H -3.871144 -0.031331 2.002691
H -4.201413 2.242225 -0.405850
H -4.625125 0.519185 -0.545221
H -1.274191 -1.612067 1.515006
H -2.887541 -2.247169 1.965509
H -3.011261 -2.968970 -1.621331
H -3.021248 -3.699840 0.004086
H -0.892939 -3.930324 -1.734048
H -0.665802 -4.003414 0.021071
H -3.486637 2.280094 -2.842883
H -3.913313 0.551773 -2.999300
H -5.179152 1.752658 -2.653185
H -1.320068 0.306864 3.247020
H 2.947615 1.028054 0.346125
H 2.202854 -3.933915 -0.363405
H 4.446810 -3.049274 0.380144
H 2.637864 3.896450 -2.476097
H 3.350475 3.442700 -0.870141
H 2.112403 4.745284 -0.955164
H 4.715003 1.178527 1.874991
H 5.267978 1.386546 0.164469
H 6.424740 0.812314 1.424803


