%chk=000278172.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278172

0 1
O 3.577548 -2.472330 -1.201311
O 5.691647 -0.974743 0.179060
O -4.326485 -2.791792 -0.297462
O -5.876644 -0.454036 -0.872159
N 0.180899 2.436821 0.278613
C 0.325113 0.976613 -0.014788
C 1.022597 2.848745 1.434184
C 1.760439 0.472503 0.026824
C 2.523813 2.553539 1.263338
C 2.786544 1.211691 0.642245
C -0.545151 0.180483 0.996026
C 0.397770 3.289995 -0.935115
C 2.046793 -0.769868 -0.557307
C -0.369915 4.617020 -0.783047
C 4.100668 0.716311 0.648951
C -1.944820 -0.032546 0.489521
C 3.350211 -1.269970 -0.537924
C 4.386569 -0.516036 0.057518
C -1.879598 4.423113 -0.889832
C -2.438155 -1.340721 0.336980
C -2.765503 1.059062 0.183766
C -3.742753 -1.546977 -0.113180
C -4.071342 0.862409 -0.267631
C -4.574177 -0.437181 -0.419370
C 4.007692 -3.548358 -0.322085
C 6.353018 -1.237754 -1.089555
C -3.520073 -3.956544 -0.001690
C -6.512840 -1.741469 -1.060504
H -0.082731 0.794179 -1.048200
H 0.863732 3.932632 1.621098
H 0.633388 2.314276 2.331122
H 2.995442 3.337575 0.633234
H 3.026741 2.625737 2.249181
H -0.056727 -0.786303 1.228706
H -0.589288 0.720280 1.967403
H 1.472135 3.493656 -1.128642
H 0.016757 2.747931 -1.829045
H 1.262957 -1.359601 -1.033922
H -0.022669 5.323983 -1.561179
H -0.123303 5.086908 0.189973
H 4.911062 1.277924 1.111536
H -2.423636 5.332177 -0.617274
H -2.214726 3.613831 -0.213855
H -2.183656 4.140154 -1.902992
H -1.795963 -2.183874 0.572389
H -2.375032 2.082588 0.287574
H -4.717025 1.706446 -0.507075
H 4.898192 -3.251348 0.243603
H 3.186247 -3.819505 0.345907
H 4.228237 -4.353260 -1.030699
H 7.285380 -1.714659 -0.770225
H 5.748989 -1.905344 -1.715230
H 6.543845 -0.287049 -1.594614
H -2.644836 -3.990653 -0.656797
H -4.215868 -4.772906 -0.232223
H -3.239268 -3.967223 1.055335
H -7.509995 -1.452047 -1.409268
H -5.971295 -2.321058 -1.815501
H -6.556852 -2.281926 -0.109184


%chk=000278172-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000278172

0 1
O 3.916304 -2.620131 -0.786238
O 5.910412 -0.767711 0.314162
O -4.444782 -2.707324 -0.954582
O -6.089635 -0.389375 -0.782548
N 0.071572 2.210738 0.075576
C 0.318549 0.750889 -0.090006
C 0.839727 2.760509 1.220147
C 1.808193 0.365649 0.024970
C 2.373141 2.657002 1.023724
C 2.774507 1.259341 0.566452
C -0.562911 -0.088400 0.903807
C 0.210488 2.970042 -1.197508
C 2.226391 -0.918319 -0.404140
C -0.231991 4.447161 -1.101942
C 4.129174 0.849998 0.638302
C -2.022982 -0.182025 0.488781
C 3.568944 -1.328849 -0.314371
C 4.542293 -0.419380 0.192931
C -1.690320 4.633388 -0.633575
C -2.541163 -1.409621 0.000136
C -2.886810 0.938238 0.553015
C -3.886503 -1.527381 -0.421608
C -4.234681 0.822296 0.151144
C -4.755310 -0.397036 -0.331173
C 4.448953 -3.527145 0.256983
C 6.592419 -1.031088 -0.974472
C -3.552603 -3.851798 -1.143927
C -6.994216 -1.429804 -0.253403
H -0.020866 0.481490 -1.109580
H 0.540738 3.809327 1.389444
H 0.550248 2.196318 2.127164
H 2.701816 3.401088 0.269069
H 2.895711 2.918231 1.964297
H -0.133203 -1.104552 0.972315
H -0.470393 0.360013 1.911424
H 1.253221 2.934954 -1.602766
H -0.434846 2.461311 -1.940053
H 1.505424 -1.631523 -0.821898
H -0.105319 4.890558 -2.110010
H 0.451727 5.012109 -0.436859
H 4.894399 1.526006 1.037298
H -1.973517 5.702178 -0.630141
H -1.833476 4.232944 0.385485
H -2.389151 4.093957 -1.299586
H -1.875067 -2.277702 -0.054827
H -2.490559 1.896267 0.900833
H -4.918091 1.676350 0.198997
H 5.340588 -3.091174 0.742932
H 3.670999 -3.730703 1.017668
H 4.711167 -4.458170 -0.268749
H 7.617861 -1.329832 -0.707943
H 6.084933 -1.838102 -1.533326
H 6.616323 -0.109533 -1.586986
H -2.713055 -3.598452 -1.820166
H -4.177950 -4.630473 -1.605564
H -3.152467 -4.219728 -0.178694
H -7.977877 -1.198746 -0.690793
H -6.660737 -2.436000 -0.555650
H -7.051639 -1.366768 0.851231


