%chk=000191438.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191438

0 1
O 1.600744 0.324562 -0.982954
O 0.123457 1.101556 2.614014
O 1.370955 2.559053 -1.259050
N -0.602579 -0.075338 0.796547
N -2.946576 3.201736 -2.233936
C 1.803842 -0.147015 1.409580
C 1.824616 -1.657649 1.378617
C 2.439028 0.533515 0.193277
C 0.381190 0.371428 1.671899
C -1.998422 0.397053 0.919923
C 1.831995 -2.351148 2.600690
C 1.825176 -2.376607 0.175818
C -2.336157 1.376713 -0.179549
C 1.848512 -3.747356 2.613876
C 1.845088 -3.774427 0.195102
C 1.857459 -4.462630 1.411445
C -3.289338 1.055373 -1.155236
C -1.695815 2.621363 -0.239024
C 1.108261 1.445775 -1.639792
C -3.568959 1.996767 -2.158882
C -2.025829 3.503064 -1.279896
C 0.284245 0.997592 -2.790613
H 2.413954 0.190007 2.302190
H 3.400614 0.062928 -0.083918
H 2.578392 1.621596 0.362216
H -0.358243 -0.603421 -0.039431
H -2.678200 -0.485681 0.908900
H -2.137346 0.888278 1.921003
H 1.818743 -1.802284 3.542292
H 1.812939 -1.849672 -0.780607
H 1.854189 -4.279945 3.564160
H 1.851223 -4.327641 -0.742938
H 1.873360 -5.550721 1.424155
H -3.813011 0.103465 -1.137214
H -0.949735 2.901682 0.507849
H -4.313803 1.791711 -2.936931
H -1.541033 4.484129 -1.367813
H 0.557165 1.549944 -3.705906
H 0.386897 -0.077660 -3.000699
H -0.786099 1.205002 -2.607760


%chk=000191438-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191438

0 1
O 1.948593 0.940040 -0.703641
O 0.499224 1.998223 2.129167
O 3.792517 2.127357 -1.491522
N -0.733965 0.150353 1.434686
N -3.820649 1.500709 -2.475418
C 1.757897 -0.028623 1.556528
C 1.580102 -1.513230 1.247037
C 2.674052 0.747911 0.590792
C 0.447936 0.793894 1.733292
C -2.025960 0.844603 1.477004
C 1.713856 -2.460998 2.296230
C 1.263240 -1.986542 -0.056347
C -2.644928 1.046722 0.097056
C 1.538714 -3.842124 2.056638
C 1.090319 -3.368454 -0.297296
C 1.224786 -4.301474 0.756600
C -4.049373 1.032331 -0.081430
C -1.839995 1.289722 -1.043962
C 2.633826 1.696346 -1.670435
C -4.586120 1.263218 -1.368724
C -2.465262 1.509430 -2.290983
C 1.767967 1.916971 -2.891538
H 2.261376 0.055986 2.540746
H 3.613848 0.204368 0.392279
H 2.900713 1.745575 1.002771
H -0.695028 -0.814927 1.097867
H -2.731374 0.299543 2.132278
H -1.824202 1.827897 1.945441
H 1.960412 -2.113218 3.307272
H 1.168772 -1.269477 -0.877672
H 1.650613 -4.556819 2.879522
H 0.851535 -3.716308 -1.308669
H 1.090974 -5.372131 0.566969
H -4.721744 0.843336 0.763552
H -0.748022 1.304764 -0.959407
H -5.669844 1.255257 -1.532453
H -1.867878 1.703644 -3.189995
H 1.098756 2.779075 -2.713684
H 2.404949 2.146435 -3.758585
H 1.140267 1.035715 -3.100561


