%chk=000273331.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273331

0 1
O 1.043815 -0.806560 -0.323893
O -2.673482 2.052279 0.995379
O 0.337520 0.637312 -1.962094
O -3.988017 -1.238199 -1.889447
O -1.147514 -1.436298 0.907047
O -1.553400 -3.613350 0.608710
N 0.384262 1.265937 0.294160
N -2.386673 1.650556 -1.233668
N 2.260225 3.773878 0.871554
N 2.466179 6.031513 0.894595
N -3.659385 -0.680026 0.306224
C -0.450016 2.478083 0.078121
C -0.242136 3.473336 1.232660
C 0.971275 4.304449 1.059234
C -1.939205 2.051638 0.018532
C 1.124206 5.696825 1.071618
C -3.752033 1.121234 -1.392452
C 0.543513 0.388529 -0.791506
C 3.141585 4.867120 0.769718
C -3.799277 -0.376917 -1.052450
C 1.412376 -1.806064 -1.357735
C 2.194887 -2.821330 -0.584422
C 3.583377 -2.672583 -0.440913
C 1.544053 -3.919526 -0.003542
C -3.456730 -2.073298 0.716046
C 4.315814 -3.624671 0.272130
C 2.282716 -4.868514 0.708493
C 3.666773 -4.723358 0.846250
C -1.998066 -2.496263 0.726392
H -0.138935 2.957921 -0.895001
H -1.140088 4.135382 1.310444
H -0.221934 2.947053 2.215057
H 0.344513 0.857110 1.235160
H -1.742088 1.505363 -2.020710
H 2.479790 2.797245 0.787780
H 0.372266 6.455899 1.195994
H -4.085851 1.257220 -2.449740
H -4.469854 1.691418 -0.750756
H 4.204602 4.763559 0.616675
H 1.989808 -1.290467 -2.146163
H 0.464906 -2.185748 -1.781986
H -3.392635 0.043043 0.988103
H 4.090517 -1.816442 -0.883531
H 0.459380 -4.043051 -0.101911
H -3.890006 -2.239173 1.733097
H -4.009018 -2.762070 0.014225
H 5.393546 -3.511489 0.380839
H 1.774647 -5.722661 1.156376
H 4.240074 -5.465687 1.400437
H -0.170282 -1.710957 0.862467


%chk=000273331-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273331

0 1
O 1.153242 -0.667522 -0.323326
O -2.879560 2.126480 0.866084
O 0.404095 0.764862 -2.043016
O -3.638544 -1.564183 -1.704347
O -1.192890 -1.275819 1.011458
O -1.711923 -3.541943 0.968301
N 0.236659 1.359162 0.226136
N -2.442349 1.552043 -1.349185
N 2.137416 3.601128 0.980344
N 2.668017 5.785601 1.209584
N -3.781055 -0.599960 0.414554
C -0.610385 2.555339 -0.038179
C -0.432203 3.610215 1.075610
C 0.912578 4.284977 1.080148
C -2.085137 2.083605 -0.132575
C 1.271027 5.630189 1.223074
C -3.753517 0.899086 -1.538684
C 0.573418 0.514008 -0.818780
C 3.160644 4.541259 1.057730
C -3.736838 -0.538049 -0.966416
C 1.601708 -1.661674 -1.386932
C 2.341765 -2.765289 -0.678835
C 3.756211 -2.729477 -0.582659
C 1.632850 -3.847040 -0.093414
C -3.541200 -1.874164 1.088756
C 4.454884 -3.756715 0.088949
C 2.331254 -4.871473 0.582982
C 3.742161 -4.829241 0.674703
C -2.081643 -2.350043 1.010106
H -0.285039 2.963814 -1.010719
H -1.207492 4.383781 0.940882
H -0.664756 3.134426 2.049638
H 0.157355 0.935398 1.156869
H -1.709298 1.416038 -2.057854
H 2.223829 2.595873 0.825424
H 0.613409 6.489925 1.335036
H -3.971507 0.835131 -2.614852
H -4.522288 1.512244 -1.037393
H 4.214999 4.282674 0.996350
H 2.230760 -1.108360 -2.103179
H 0.689897 -2.010739 -1.902122
H -3.712307 0.287126 0.935808
H 4.309503 -1.898604 -1.037444
H 0.538650 -3.897808 -0.159076
H -3.823009 -1.782743 2.152755
H -4.151734 -2.670574 0.633730
H 5.547971 -3.723944 0.153138
H 1.774084 -5.700516 1.031788
H 4.282827 -5.628138 1.194373
H -0.246537 -1.551167 0.826275


