%chk=000289653.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289653

0 1
O 3.314863 2.356088 0.837823
O 0.695199 0.686984 3.631353
N -1.705200 0.468206 -0.972339
N -2.481351 -0.669313 -2.814749
N -2.688738 -1.002647 0.814856
N -3.999085 -2.850113 -0.122868
N -4.251329 -3.212989 -2.444996
C 1.003172 1.771371 1.404802
C 0.337776 0.843080 0.378633
C -0.960996 1.454661 -0.167124
C 2.493115 1.434760 1.587157
C 0.276698 1.754637 2.763680
C -2.434624 -0.615823 -0.483229
C -1.751629 0.374889 -2.399051
C -2.924197 -1.310082 -1.648274
C 3.595099 2.000512 -0.527491
C 0.040516 -0.588753 3.443803
C 2.538851 2.507960 -1.476804
C 0.995528 -1.570006 2.815473
C -3.733700 -2.465351 -1.421003
C -3.470815 -2.108850 0.904642
C 1.926901 3.749226 -1.249173
C 0.522470 -2.533105 1.912824
C 2.184804 1.754763 -2.605407
C 2.355256 -1.542342 3.157452
C 0.956355 4.224493 -2.133915
C 1.407761 -3.460830 1.356616
C 1.218822 2.238182 -3.493148
C 3.236863 -2.468220 2.594820
C 0.599549 3.469351 -3.256657
C 2.764517 -3.429424 1.694663
H 0.958232 2.825481 1.018452
H 0.133684 -0.149102 0.833291
H 1.033589 0.638646 -0.459812
H -0.739248 2.346793 -0.798701
H -1.618679 1.790022 0.671477
H 2.832196 1.636527 2.624337
H 2.734931 0.390797 1.331375
H -0.820113 1.735149 2.640076
H 0.563105 2.636684 3.372568
H -1.245581 1.094483 -3.030085
H 3.758214 0.911829 -0.613685
H 4.558356 2.527323 -0.702367
H -0.900605 -0.477012 2.872507
H -0.199414 -0.891486 4.484537
H -3.716725 -2.465716 1.919960
H 2.218982 4.332939 -0.373874
H -0.533357 -2.560196 1.643158
H 2.661356 0.794951 -2.797902
H 2.711594 -0.789228 3.861896
H -4.835447 -4.012047 -2.256099
H -4.091258 -2.942344 -3.403060
H 0.484810 5.189703 -1.955426
H 1.038005 -4.209992 0.658422
H 0.956434 1.656222 -4.375867
H 4.291789 -2.444851 2.862129
H -0.148335 3.846641 -3.951426
H 3.450834 -4.153531 1.261149


%chk=000289653-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289653

0 1
O 3.251556 2.646194 0.741328
O 0.795731 0.588139 3.759120
N -1.707361 0.450630 -0.834054
N -2.367190 -0.632454 -2.752155
N -2.749784 -1.048197 0.856692
N -3.982008 -2.901537 -0.197957
N -4.105978 -3.199188 -2.539544
C 0.967254 1.901918 1.575492
C 0.355326 0.955651 0.509104
C -1.047891 1.420859 0.058023
C 2.511108 1.778662 1.679572
C 0.321949 1.743685 2.980078
C -2.450952 -0.657339 -0.419616
C -1.684750 0.409981 -2.236150
C -2.855638 -1.308140 -1.618202
C 3.491900 2.116884 -0.605032
C 0.093915 -0.695858 3.546458
C 2.499282 2.617912 -1.653283
C 0.987023 -1.735229 2.879864
C -3.653796 -2.479690 -1.466414
C -3.522361 -2.177620 0.868589
C 1.859355 3.872946 -1.497186
C 0.425639 -2.735786 2.047346
C 2.244074 1.857421 -2.822159
C 2.383310 -1.746611 3.126911
C 0.977545 4.356824 -2.490375
C 1.245173 -3.737304 1.476925
C 1.366131 2.341618 -3.819947
C 3.203179 -2.744045 2.553347
C 0.727941 3.593952 -3.656376
C 2.636612 -3.744953 1.728236
H 0.765718 2.952539 1.270315
H 0.298550 -0.075527 0.898953
H 1.004184 0.920270 -0.382934
H -0.972010 2.385126 -0.477127
H -1.712879 1.559488 0.928938
H 2.843823 2.124724 2.673360
H 2.829954 0.723491 1.557260
H -0.785810 1.717358 2.904148
H 0.603168 2.613392 3.602229
H -1.154483 1.161789 -2.818354
H 3.515335 1.006151 -0.590998
H 4.508365 2.469765 -0.869079
H -0.841342 -0.551826 2.968237
H -0.184130 -1.045241 4.561064
H -3.813131 -2.553564 1.854481
H 2.062369 4.456702 -0.592776
H -0.651199 -2.725011 1.839349
H 2.729897 0.881996 -2.954357
H 2.812732 -0.966053 3.764326
H -4.677370 -4.025303 -2.375347
H -3.875038 -2.898255 -3.483942
H 0.492597 5.331238 -2.360160
H 0.798664 -4.504527 0.834092
H 1.181603 1.743984 -4.720151
H 4.281055 -2.744059 2.753239
H 0.050716 3.972763 -4.430194
H 3.272168 -4.520731 1.286191


