%chk=000201819.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201819

1 1
O 3.517212 1.491565 -0.569768
N 1.689959 -0.702508 -0.021478
N -1.543269 0.660578 -0.267189
C 1.377149 0.750659 0.330552
C 2.705320 -0.722656 -1.170179
C 0.422551 -1.431066 -0.505761
C 2.259849 -1.427875 1.176905
C 2.648505 1.571124 0.571111
C 3.931667 0.152069 -0.860613
C -0.704170 -1.508963 0.528902
C -1.846611 -0.549311 0.284397
C -3.158049 -0.907190 0.640151
C -4.188404 0.012392 0.413834
C -2.556827 1.540999 -0.483795
C -3.890817 1.253003 -0.156227
H 0.692934 0.799830 1.208403
H 0.786690 1.204186 -0.513477
H 2.209665 -0.325972 -2.092249
H 3.016392 -1.766791 -1.394906
H 0.714266 -2.460645 -0.819035
H 0.050632 -0.912262 -1.428187
H 3.185275 -0.948053 1.548014
H 1.542077 -1.439920 2.020406
H 2.507537 -2.478967 0.940698
H 2.420968 2.659929 0.617937
H 3.194378 1.277552 1.484985
H 4.550962 -0.247271 -0.037838
H 4.567851 0.288205 -1.763640
H -1.104814 -2.552120 0.529548
H -0.335341 -1.357596 1.568563
H -3.379726 -1.878040 1.080928
H -5.218390 -0.240813 0.680168
H -2.272879 2.501387 -0.934334
H -4.677642 1.984942 -0.345224


%chk=000201819-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201819

1 1
O 3.321635 1.682141 -0.451108
N 1.700939 -0.763532 0.015070
N -1.598597 0.347950 -0.780946
C 1.281522 0.644522 0.504228
C 2.675912 -0.583219 -1.177947
C 0.468075 -1.548441 -0.522700
C 2.368966 -1.559993 1.129118
C 2.492677 1.557326 0.752304
C 3.834489 0.368408 -0.847033
C -0.740350 -1.648594 0.423645
C -1.818831 -0.580439 0.197060
C -3.013360 -0.604234 0.957252
C -4.012802 0.356772 0.692205
C -2.573534 1.272282 -1.034577
C -3.793728 1.312870 -0.327191
H 0.684688 0.517366 1.423088
H 0.625601 1.048373 -0.284747
H 2.074824 -0.154479 -1.996739
H 3.033973 -1.585520 -1.470847
H 0.861853 -2.545949 -0.782579
H 0.147215 -1.018388 -1.435667
H 3.241977 -1.015479 1.512673
H 1.650144 -1.713301 1.946861
H 2.688439 -2.534659 0.728883
H 2.125906 2.572797 0.971036
H 3.109659 1.222087 1.612967
H 4.512491 -0.040485 -0.068598
H 4.426372 0.536346 -1.760807
H -1.202972 -2.639481 0.248886
H -0.445941 -1.667076 1.491342
H -3.163212 -1.364065 1.732156
H -4.945923 0.356793 1.263992
H -2.357821 1.992388 -1.830707
H -4.545386 2.069314 -0.568974


