%chk=000233048.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233048

0 1
O -2.889203 -0.002338 -0.808342
O 3.158585 -0.001088 -0.388333
O 2.356959 0.004632 1.762055
N 0.929000 -0.004793 -0.082942
C -0.342140 -0.003205 0.698355
C -1.116979 1.247457 0.357636
C -1.118623 -1.253198 0.359036
C -2.310435 1.188717 -0.374222
C -2.312046 -1.193645 -0.372841
C -0.654014 2.513010 0.752347
C -0.657338 -2.518952 0.755074
C -3.040070 2.333588 -0.733528
C -3.043258 -2.337937 -0.730802
C -1.362718 3.664673 0.410491
C -1.367631 -3.670031 0.414554
C -2.549408 3.573945 -0.333716
C -2.554265 -3.578513 -0.329645
C 2.153230 0.000147 0.562174
C 4.528616 0.002651 0.149733
C 5.389313 0.003613 -1.109412
C 6.870222 0.010000 -0.750436
H -0.082988 -0.002659 1.799414
H 0.873376 -0.007330 -1.098307
H 0.271562 2.588461 1.327406
H 0.268209 -2.595041 1.330061
H -3.959962 2.233491 -1.305430
H -3.963054 -2.237223 -1.302756
H -0.994283 4.640606 0.721235
H -1.000487 -4.646121 0.726327
H -3.093444 4.481230 -0.598382
H -3.099563 -4.485351 -0.593253
H 4.651336 -0.899441 0.771766
H 4.647279 0.906267 0.770373
H 5.141398 -0.880268 -1.732435
H 5.134550 0.883294 -1.735645
H 7.152204 -0.872215 -0.162987
H 7.492113 0.010252 -1.654252
H 7.145559 0.897013 -0.167070


%chk=000233048-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000233048

0 1
O -3.056459 -0.002362 -0.683726
O 3.175302 -0.000143 -0.467396
O 2.325321 0.008727 1.734783
N 0.924010 -0.003330 -0.153987
C -0.355995 -0.002589 0.595730
C -1.161863 1.261651 0.305201
C -1.162220 -1.266628 0.305639
C -2.429046 1.211196 -0.322394
C -2.429445 -1.215931 -0.321911
C -0.642639 2.535404 0.645622
C -0.643359 -2.540481 0.646238
C -3.157033 2.383594 -0.624311
C -3.157811 -2.388215 -0.623420
C -1.355132 3.716875 0.360806
C -1.356221 -3.721819 0.361807
C -2.616600 3.637635 -0.282358
C -2.617751 -3.642336 -0.281207
C 2.143331 0.002492 0.486455
C 4.556021 0.006229 0.090604
C 5.517806 0.000047 -1.098830
C 6.989229 0.006362 -0.626711
H -0.039094 -0.002174 1.656546
H 0.908934 -0.007312 -1.175341
H 0.337102 2.586967 1.135280
H 0.336525 -2.592256 1.135581
H -4.130677 2.288947 -1.114109
H -4.131455 -2.293385 -1.113181
H -0.936570 4.690594 0.634876
H -0.937887 -4.695602 0.635996
H -3.177340 4.550175 -0.511318
H -3.178796 -4.554757 -0.509895
H 4.685390 -0.884860 0.733006
H 4.681970 0.906429 0.720874
H 5.319727 -0.893640 -1.719603
H 5.316036 0.884254 -1.731868
H 7.217054 -0.882351 -0.008891
H 7.677837 0.001739 -1.489895
H 7.213401 0.904553 -0.021390


