%chk=000230503.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230503

0 1
O 5.019292 -2.224305 -0.240816
O 2.286902 -2.781125 0.402719
O -5.672178 -0.580973 0.759741
O -4.294430 -2.606148 -0.721422
N 0.054571 1.695027 1.109666
N 1.388698 3.138939 -0.204178
C 3.507199 1.175624 -0.157020
C 3.866249 2.621845 -0.344078
C 2.186598 0.830097 0.183554
C 1.199314 1.947593 0.305392
C 2.667766 3.441153 -0.864770
C -1.080912 2.650139 1.046592
C 4.482707 0.176586 -0.301858
C -1.917820 2.532873 -0.242574
C 1.837862 -0.516301 0.352054
C 4.141389 -1.163837 -0.121971
C 2.802204 -1.518757 0.204008
C -2.590033 1.194670 -0.353934
C -3.831862 0.980933 0.272039
C -1.978800 0.153401 -1.060496
C -4.452477 -0.264492 0.184086
C -2.592518 -1.099127 -1.151573
C -3.829592 -1.322066 -0.534486
C 6.399173 -1.919852 -0.561463
C 3.187714 -3.909943 0.286686
C -6.355015 0.463561 1.494017
C -5.566799 -2.961474 -0.127193
H 4.201628 3.031639 0.634453
H 4.725285 2.740588 -1.030874
H 2.855402 4.528053 -0.707552
H 2.547155 3.292805 -1.962579
H -1.714126 2.456590 1.940846
H -0.686330 3.690233 1.138196
H -0.258789 0.718091 1.099553
H -2.664655 3.351092 -0.269708
H -1.261553 2.722223 -1.120633
H 5.499998 0.460467 -0.556139
H 0.817247 -0.815769 0.600375
H -4.295968 1.795405 0.820209
H -1.020792 0.312967 -1.553705
H -2.123090 -1.915676 -1.700445
H 6.464858 -1.438586 -1.541452
H 6.846475 -2.921895 -0.584208
H 6.847318 -1.308001 0.226722
H 2.517035 -4.752218 0.492163
H 3.983917 -3.834806 1.034485
H 3.600771 -3.959473 -0.726155
H -7.265098 -0.054453 1.821751
H -5.754524 0.781536 2.351121
H -6.596493 1.299797 0.831618
H -5.515116 -2.858900 0.961794
H -6.363629 -2.336028 -0.543072
H -5.672629 -4.008618 -0.431286


%chk=000230503-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000230503

0 1
O 5.162329 -2.247423 0.056137
O 2.408077 -2.863416 0.400358
O -5.919705 -0.441759 0.640359
O -4.614020 -2.596098 -0.685735
N 0.041029 1.689528 0.875020
N 1.474619 3.168927 -0.245022
C 3.616686 1.191955 -0.003085
C 3.953151 2.668302 -0.131932
C 2.251644 0.844448 0.194282
C 1.256362 1.962587 0.255600
C 2.800714 3.395668 -0.869305
C -1.062386 2.651685 0.887937
C 4.593207 0.175627 -0.065071
C -1.986663 2.548217 -0.366647
C 1.893647 -0.524362 0.277063
C 4.238642 -1.189233 0.061248
C 2.862103 -1.545107 0.214909
C -2.701332 1.211476 -0.465003
C -3.972886 1.030770 0.139996
C -2.101885 0.105530 -1.115932
C -4.636517 -0.217448 0.103924
C -2.749646 -1.149842 -1.138440
C -4.008955 -1.334484 -0.531041
C 6.585217 -1.906160 -0.025220
C 2.798104 -3.870336 -0.609101
C -6.621167 0.706438 1.217075
C -5.125872 -3.263501 0.528312
H 4.060459 3.115684 0.878730
H 4.913432 2.814663 -0.660734
H 2.984803 4.485139 -0.877926
H 2.775009 3.062819 -1.931313
H -1.658795 2.493718 1.806122
H -0.618010 3.662116 0.916430
H -0.109383 0.765867 1.274509
H -2.719585 3.377137 -0.312944
H -1.354733 2.725686 -1.255608
H 5.641036 0.461222 -0.203817
H 0.850848 -0.849211 0.366357
H -4.450179 1.889362 0.625319
H -1.131688 0.227445 -1.610163
H -2.300317 -2.014172 -1.637933
H 6.825782 -1.403212 -0.981862
H 7.113926 -2.868993 0.030905
H 6.889555 -1.262137 0.821906
H 2.301582 -4.798612 -0.287839
H 3.891929 -4.003064 -0.633268
H 2.428544 -3.574798 -1.610439
H -7.599173 0.315501 1.534783
H -6.080233 1.114213 2.093541
H -6.765016 1.506506 0.465346
H -4.309668 -3.407815 1.263335
H -5.944928 -2.683663 0.984129
H -5.490197 -4.242284 0.179951


