%chk=000290781.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290781

0 1
O -2.297303 0.303948 0.987056
O -2.098136 1.234172 -1.106985
O -0.381590 4.689845 1.057142
O -4.723141 1.814192 1.128136
O -2.927223 -2.315997 -0.038827
N 0.551390 0.335240 1.077531
N -3.555919 -0.163449 0.660426
N -2.478744 3.847366 1.229929
C 1.524572 -0.281307 0.104503
C -0.267601 1.458458 0.584346
C 2.103424 -1.534028 0.784084
C 0.772092 -0.600470 -1.192582
C 2.734288 0.635970 -0.118749
C -0.558177 2.393874 1.773147
C 2.410854 -1.499322 2.153827
C -0.170831 -1.642291 -1.196584
C 3.705354 0.241014 -1.058068
C 2.397199 -2.689187 0.045738
C 0.942900 0.165143 -2.353386
C 2.938551 1.808451 0.617234
C -1.612989 1.024779 -0.037455
C 2.964654 -2.617969 2.781266
C -0.901558 -1.932724 -2.350271
C 4.837328 1.025404 -1.278658
C 2.954885 -3.805481 0.676014
C 0.211154 -0.128163 -3.509122
C 4.073228 2.596859 0.389932
C -1.098727 3.738796 1.318772
C 3.233801 -3.775978 2.045300
C -0.708286 -1.179978 -3.513151
C 5.021721 2.211946 -0.558895
C -5.874333 -0.209342 0.314667
C -5.278751 -1.572974 -0.074270
C -4.716872 0.670844 0.754176
C -3.774652 -1.488644 0.141332
H -0.026998 -0.385266 1.529120
H 0.287441 2.026338 -0.221978
H -1.219519 1.904199 2.516596
H 0.398730 2.576704 2.322320
H 2.231389 -0.590570 2.731698
H -0.349488 -2.233244 -0.294949
H 3.575930 -0.687217 -1.615069
H 2.198304 -2.728026 -1.026012
H 1.642199 1.002959 -2.371071
H 2.227265 2.118636 1.384238
H 3.193466 -2.583331 3.845097
H -1.630730 -2.742520 -2.331666
H 5.580480 0.712028 -2.009711
H 3.174220 -4.699613 0.094845
H 0.354939 0.474051 -4.405084
H 4.211885 3.514775 0.960056
H 3.664710 -4.647005 2.534646
H -1.277175 -1.406010 -4.412614
H 5.901874 2.826608 -0.735288
H -6.621578 -0.295879 1.129518
H -6.410295 0.267550 -0.532398
H -5.492265 -1.832116 -1.131822
H -5.703339 -2.401010 0.528740
H -2.893055 4.710686 0.910469
H -3.121252 3.079882 1.393363


%chk=000290781-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290781

0 1
O -2.228897 -0.032374 0.906289
O -2.228413 1.286996 -1.080092
O -0.361673 4.629208 0.851291
O -4.458897 1.699610 1.415104
O -3.228228 -2.530199 -0.250214
N 0.578148 0.336234 1.023444
N -3.579085 -0.340439 0.608231
N -2.539060 3.932450 1.295016
C 1.557476 -0.290722 0.067283
C -0.302175 1.416721 0.557992
C 2.115288 -1.554962 0.784493
C 0.837499 -0.630507 -1.271436
C 2.783662 0.645111 -0.149054
C -0.669155 2.374469 1.744403
C 2.413585 -1.486954 2.171442
C -0.152732 -1.650085 -1.285301
C 3.827910 0.233527 -1.020053
C 2.435473 -2.743652 0.082838
C 1.033591 0.127513 -2.453616
C 2.928621 1.871090 0.540185
C -1.624988 0.942746 -0.068117
C 2.987729 -2.587705 2.843049
C -0.898430 -1.924557 -2.449752
C 4.976196 1.030546 -1.202558
C 3.018101 -3.842838 0.752371
C 0.284894 -0.142544 -3.621827
C 4.076395 2.676654 0.355240
C -1.174613 3.743094 1.259714
C 3.292524 -3.773842 2.136561
C -0.678592 -1.175063 -3.628976
C 5.105141 2.262891 -0.517895
C -5.918317 -0.111935 0.482491
C -5.512261 -1.510424 -0.056751
C -4.617969 0.568217 0.903723
C -3.985339 -1.590367 0.051678
H 0.087928 -0.364252 1.591625
H 0.220945 2.001924 -0.217330
H -1.384846 1.878478 2.422572
H 0.268659 2.552841 2.295089
H 2.211604 -0.558708 2.715756
H -0.357461 -2.228641 -0.377929
H 3.748593 -0.722424 -1.549903
H 2.223296 -2.819782 -0.988473
H 1.774434 0.932820 -2.468128
H 2.153919 2.189476 1.241082
H 3.208485 -2.514797 3.914115
H -1.659946 -2.710514 -2.420819
H 5.771217 0.690055 -1.875803
H 3.255966 -4.753202 0.190480
H 0.451540 0.461099 -4.521136
H 4.159324 3.627229 0.893766
H 3.742997 -4.627631 2.655041
H -1.258901 -1.384570 -4.534711
H 5.995520 2.885389 -0.660604
H -6.595096 -0.163185 1.352195
H -6.412295 0.514687 -0.279351
H -5.796049 -1.660880 -1.111898
H -5.953170 -2.339603 0.521882
H -2.902211 4.820353 0.946953
H -3.198158 3.177535 1.518934


