%chk=000298029.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298029

0 1
O -1.812803 -1.996340 2.157963
O -5.308711 -0.388676 -0.471564
O -1.743374 0.416110 -0.383982
O -1.282187 0.752511 -2.560450
N -0.303962 0.642478 2.139163
N -3.500071 -0.464584 2.301790
N -3.336048 -1.560876 -0.626585
C 1.605575 -0.067493 0.753881
C 2.630050 0.884578 0.577107
C 1.212375 -0.884811 -0.329385
C 0.927489 -0.222670 2.096422
C 3.169829 1.121776 -0.729201
C 1.764823 -0.663136 -1.631708
C 2.713266 0.366668 -1.830853
C 3.178823 1.634823 1.687821
C 0.273785 -1.973019 -0.161828
C 4.183232 2.143965 -0.876227
C 1.328530 -1.513619 -2.717484
C -1.261277 0.140058 3.175441
C 3.222944 0.642039 -3.210074
C 0.017251 2.078891 2.374204
C 4.147042 2.574501 1.506829
C -0.091186 -2.768016 -1.205010
C 4.652568 2.847016 0.190607
C 0.439829 -2.526725 -2.516022
C -2.168902 -0.870304 2.470917
C -4.447792 -1.336385 1.580757
C -4.425047 -1.017458 0.078118
C -2.954884 -0.924615 -1.901520
C -1.908124 0.162900 -1.715320
H 0.607066 -1.289405 2.232745
H 1.636802 -0.006106 2.926655
H 2.806249 1.407348 2.687965
H -0.134761 -2.148282 0.843775
H 4.567058 2.333266 -1.882999
H 1.729492 -1.327808 -3.713704
H -0.774159 -0.373501 4.035952
H -1.842992 0.975188 3.620686
H 3.945145 1.471664 -3.248438
H 2.395719 0.915409 -3.884985
H 3.727837 -0.236974 -3.635959
H 0.507700 2.298039 3.333506
H 0.681731 2.431781 1.563539
H -0.906874 2.675482 2.308579
H 4.562194 3.131172 2.345350
H -0.778786 -3.601668 -1.067613
H 5.415151 3.614445 0.075744
H 0.122699 -3.172414 -3.332353
H -3.747161 0.523210 2.316577
H -5.478057 -1.165200 1.973270
H -4.204896 -2.411272 1.770746
H -2.533211 -1.914676 -0.080119
H -2.545688 -1.701035 -2.594304
H -3.859290 -0.487998 -2.404367
H -0.940608 0.968451 -0.147654


%chk=000298029-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298029

0 1
O -1.768263 -1.977825 2.071841
O -5.802766 -0.496032 0.105566
O -2.152203 0.501938 0.052197
O -1.554359 0.736262 -2.189140
N -0.463571 0.744279 1.828419
N -3.653851 -0.700313 2.544398
N -3.762031 -1.541175 -0.393630
C 1.638903 -0.004687 0.588871
C 2.737556 0.910806 0.518429
C 1.336138 -0.833012 -0.540111
C 0.797202 -0.126179 1.849602
C 3.486271 1.069126 -0.733877
C 2.082348 -0.668130 -1.783196
C 3.130103 0.299979 -1.884696
C 3.158332 1.700314 1.655448
C 0.315536 -1.854252 -0.492424
C 4.582212 2.011365 -0.755559
C 1.747842 -1.511497 -2.905039
C -1.430318 0.313012 2.917577
C 3.833676 0.473470 -3.221622
C -0.162444 2.209929 1.948470
C 4.225977 2.586887 1.589951
C 0.043910 -2.662118 -1.591249
C 4.947236 2.750494 0.362544
C 0.760032 -2.484274 -2.818703
C -2.291480 -0.882709 2.466976
C -4.594963 -1.654005 1.913774
C -4.807105 -1.203690 0.444138
C -3.435638 -0.730826 -1.574551
C -2.268499 0.254825 -1.272018
H 0.437391 -1.155855 1.991521
H 1.368558 0.142251 2.758361
H 2.636971 1.591678 2.610318
H -0.254248 -2.017880 0.426072
H 5.156611 2.145409 -1.675121
H 2.290034 -1.388235 -3.846139
H -0.864321 0.031816 3.827842
H -2.067244 1.179257 3.165093
H 4.571273 1.286650 -3.220483
H 3.102787 0.701859 -4.018865
H 4.364022 -0.450939 -3.519703
H 0.252288 2.461840 2.943800
H 0.563731 2.490736 1.172145
H -1.093043 2.777069 1.779132
H 4.522377 3.157385 2.477076
H -0.721385 -3.443802 -1.518223
H 5.787409 3.451085 0.311009
H 0.528271 -3.115765 -3.683214
H -4.008898 0.247384 2.692358
H -5.561507 -1.622693 2.438966
H -4.156043 -2.662538 1.986585
H -2.974709 -2.030847 0.046995
H -3.141082 -1.357297 -2.433007
H -4.338472 -0.160006 -1.855201
H -1.195152 0.648181 0.706697


