%chk=000298269.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298269

0 1
O -0.458666 0.661082 0.838510
O -1.482626 -1.651358 -1.473508
O -3.376955 0.673696 -1.316761
O -2.155819 -1.627649 2.010128
O -0.359163 3.190938 -0.996122
N 0.953363 -1.141726 0.108294
C -2.265199 -1.284891 -0.315430
C -2.553552 0.231116 -0.222936
C -1.319672 -1.697649 0.839401
C -1.225394 1.007772 -0.343547
C -0.119311 -0.722030 1.023837
C -1.395119 2.529765 -0.256676
C 2.235172 -0.526963 0.162224
C -2.183227 -1.560449 -2.731988
C -4.793279 0.612313 -1.056770
C -1.813849 -2.574632 3.042387
C 3.122519 -0.757632 -0.914875
C 2.665414 0.221706 1.276342
C 0.926689 3.191960 -0.339021
C 4.422637 -0.261752 -0.852743
C 3.972998 0.706998 1.315411
C 4.856886 0.469831 0.258964
H -3.204405 -1.874859 -0.303026
H -3.043300 0.447204 0.756127
H -0.952050 -2.737591 0.674991
H -0.659684 0.717742 -1.256067
H 0.229097 -0.702458 2.088468
H -1.414146 2.876744 0.790711
H -2.308899 2.853503 -0.796748
H 0.621278 -1.370820 -0.841183
H -2.559074 -0.539201 -2.887228
H -1.399548 -1.809100 -3.456337
H -2.995833 -2.290158 -2.761522
H -5.220531 1.010566 -1.985998
H -5.056803 1.248919 -0.206790
H -5.111507 -0.420386 -0.892500
H -0.793340 -2.410447 3.399540
H -1.950531 -3.598811 2.683161
H -2.542593 -2.334734 3.827738
H 2.798146 -1.325853 -1.782212
H 1.984760 0.432306 2.097165
H 0.906120 3.884246 0.506426
H 1.599925 3.547046 -1.126302
H 1.203165 2.182115 -0.009199
H 5.107545 -0.444690 -1.680518
H 4.304950 1.280793 2.180453
H 5.872509 0.851680 0.298329


%chk=000298269-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298269

0 1
O -0.525811 0.738681 0.965209
O -1.359321 -1.566683 -1.585015
O -3.361410 0.695744 -1.467185
O -2.224762 -1.540081 1.958410
O -0.527815 3.513405 -0.615226
N 0.899958 -1.005776 -0.051027
C -2.178034 -1.236742 -0.405179
C -2.552751 0.265570 -0.315696
C -1.313740 -1.628008 0.816220
C -1.276296 1.137832 -0.253386
C -0.079320 -0.688249 0.954154
C -1.588016 2.635637 -0.126333
C 2.249484 -0.615633 0.014502
C -2.106959 -1.733305 -2.840094
C -4.794585 0.444178 -1.295485
C -1.701518 -2.134282 3.189811
C 3.147579 -1.061273 -0.998453
C 2.758149 0.199299 1.067223
C 0.676290 3.526417 0.224048
C 4.512288 -0.715980 -0.950051
C 4.131116 0.524118 1.111573
C 5.020930 0.073535 0.109646
H -3.094681 -1.863399 -0.402132
H -3.119768 0.406522 0.630848
H -0.952703 -2.672303 0.690884
H -0.658943 0.965342 -1.158147
H 0.366645 -0.785643 1.960094
H -1.829589 2.860201 0.936873
H -2.455084 2.869149 -0.765754
H 0.529179 -1.374547 -0.934203
H -2.541030 -0.774014 -3.167996
H -1.375792 -2.102971 -3.576720
H -2.912694 -2.486117 -2.712596
H -5.284842 0.861583 -2.189172
H -5.183294 0.951983 -0.388822
H -5.026091 -0.638857 -1.224900
H -0.892672 -1.522406 3.635743
H -1.323894 -3.162660 3.009487
H -2.551212 -2.170359 3.889277
H 2.768179 -1.687231 -1.816019
H 2.081307 0.602630 1.826449
H 0.422228 3.748455 1.282348
H 1.313037 4.328613 -0.183075
H 1.215622 2.561879 0.186809
H 5.183628 -1.070010 -1.741189
H 4.503353 1.151641 1.930074
H 6.082752 0.338315 0.146774


