%chk=000236522.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236522

0 1
O 4.775600 -0.131003 -0.784650
O 3.174678 2.346143 -0.990421
O 3.227360 -2.500407 0.073195
O -3.410613 0.342944 1.629717
O -6.986716 -0.456587 -0.937286
N -3.987050 -1.375942 0.258499
N -5.900532 1.082269 0.346868
N -6.495870 2.210977 -0.271253
C 0.714789 0.066966 0.322906
C 3.429098 -0.069435 -0.435159
C 2.709313 1.143936 -0.537223
C 2.735816 -1.228157 -0.017800
C 1.360441 1.217652 -0.140116
C 1.383440 -1.159293 0.371107
C -0.693547 0.166649 0.755798
C -1.656312 -0.659837 0.326269
C -3.049944 -0.489996 0.804682
C -5.395008 -1.318307 0.681181
C 5.655350 0.133883 0.347880
C 4.442592 2.395010 -1.697058
C 4.507586 -2.811139 -0.537969
C -6.163887 -0.219326 -0.066663
H 0.842429 2.172317 -0.213374
H 0.886330 -2.065771 0.709828
H -0.915545 0.982330 1.461414
H -1.454536 -1.469328 -0.375999
H -5.892067 -2.295809 0.475385
H -5.457995 -1.146316 1.785563
H -3.769668 -1.993641 -0.515403
H 5.501095 -0.616251 1.128525
H 5.476302 1.139983 0.737405
H 6.648305 0.047326 -0.104228
H 5.251435 2.451785 -0.964108
H 4.567607 1.527686 -2.354457
H 4.345737 3.327020 -2.266954
H 4.439734 -3.898695 -0.660586
H 4.625486 -2.299720 -1.499674
H 5.305384 -2.531634 0.154991
H -5.136140 1.328940 1.002460
H -7.506080 2.213202 -0.066552
H -6.424998 2.131476 -1.296638


%chk=000236522-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236522

0 1
O 4.961229 -0.327726 -0.405767
O 3.808834 2.307819 -0.055591
O 3.180744 -2.604151 -0.345867
O -3.397978 1.048064 1.125890
O -7.113123 -1.133589 -0.420753
N -3.960077 -1.198613 0.976242
N -5.914237 0.866241 -0.232411
N -6.539683 1.504902 -1.341486
C 0.770978 0.160351 0.249025
C 3.572035 -0.147848 -0.231009
C 3.002010 1.147320 -0.061399
C 2.709380 -1.286527 -0.227134
C 1.626278 1.295200 0.192170
C 1.330834 -1.125598 0.013541
C -0.652918 0.376928 0.528708
C -1.639644 -0.566198 0.618182
C -3.033662 -0.165287 0.919996
C -5.366506 -0.948343 1.327108
C 5.777381 0.054357 0.777683
C 4.511838 2.590012 -1.330136
C 4.045997 -2.918455 -1.505788
C -6.221042 -0.428322 0.142426
H 1.230288 2.304864 0.342691
H 0.717300 -2.031058 0.029054
H -0.972420 1.417041 0.689273
H -1.430390 -1.634784 0.477669
H -5.826841 -1.887697 1.669773
H -5.387452 -0.206211 2.145726
H -3.679296 -2.146352 0.720621
H 5.527405 -0.601584 1.631086
H 5.601053 1.111595 1.042653
H 6.823083 -0.101235 0.472432
H 5.167782 1.748505 -1.616124
H 3.775369 2.785122 -2.132162
H 5.105984 3.496193 -1.138744
H 4.294034 -3.984492 -1.391997
H 3.487269 -2.761558 -2.448534
H 4.958137 -2.300443 -1.496074
H -5.107388 1.344355 0.202479
H -7.511828 1.754168 -1.108733
H -6.521358 0.884935 -2.164615


