%chk=000217791.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217791

0 1
O 2.722897 2.056290 -1.659633
O -0.208374 -1.878385 0.718578
O -5.516128 1.621680 -0.356975
O -3.323095 1.985001 0.015337
N 2.921332 0.508157 0.075615
N -1.756834 -0.188937 0.402489
C 0.600797 0.403779 0.768907
C 2.004317 -0.211408 1.009308
C 0.733247 1.270812 -0.491433
C 2.220535 1.364054 -0.803998
C -0.456003 -0.694347 0.624192
C 4.332614 0.272270 0.104488
C 5.195541 1.051796 -0.692361
C 4.861109 -0.735979 0.935486
C -2.940904 -0.954913 0.230949
C 6.569188 0.820506 -0.647323
C 6.241593 -0.947966 0.964950
C -4.169148 -0.280780 -0.016256
C 7.100576 -0.175287 0.180045
C -2.928871 -2.365271 0.302426
C -5.347199 -1.040412 -0.181706
C -4.104472 -3.084241 0.134638
C -5.321970 -2.425628 -0.107873
C -4.238603 1.183411 -0.105609
C -5.692142 3.062532 -0.468141
H 0.326598 1.044240 1.645032
H 2.330416 -0.069212 2.060493
H 2.009135 -1.307791 0.792236
H 0.309460 2.285473 -0.354393
H 0.206652 0.846390 -1.371345
H -1.873147 0.850676 0.336811
H 4.795283 1.831303 -1.349072
H 4.220023 -1.361307 1.549343
H 7.233749 1.424666 -1.265634
H 6.648154 -1.728319 1.608150
H -1.986025 -2.895381 0.489949
H 8.173364 -0.347081 0.209068
H -6.288910 -0.513681 -0.371423
H -4.082879 -4.175009 0.191679
H -6.235959 -3.001743 -0.237154
H -5.408018 3.540456 0.474730
H -6.765213 3.150271 -0.669214
H -5.084685 3.443817 -1.295256


%chk=000217791-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217791

0 1
O 3.199687 1.301034 -2.539675
O -0.252210 -2.144443 -0.229597
O -5.421044 1.810316 0.439502
O -3.114710 1.918895 0.254573
N 2.978148 0.339460 -0.365070
N -1.789527 -0.369090 0.002460
C 0.587756 0.157054 -0.256627
C 1.899324 -0.288015 0.441248
C 1.029747 0.402726 -1.726046
C 2.519515 0.757623 -1.626924
C -0.513795 -0.905578 -0.148452
C 4.324079 0.378873 0.112259
C 5.334505 1.113332 -0.571529
C 4.664068 -0.324534 1.301824
C -3.029853 -1.042993 0.069239
C 6.647810 1.139586 -0.059377
C 5.982969 -0.285530 1.800639
C -4.233224 -0.261710 0.218809
C 6.984887 0.447722 1.127116
C -3.130575 -2.460227 -0.006430
C -5.490112 -0.923165 0.286276
C -4.390412 -3.083269 0.063377
C -5.577032 -2.322899 0.209959
C -4.175389 1.215693 0.301182
C -5.425812 3.291108 0.525269
H 0.246419 1.114521 0.178546
H 1.945711 0.063391 1.486419
H 1.980523 -1.391641 0.425470
H 0.475309 1.207063 -2.233609
H 0.932836 -0.518560 -2.331699
H -1.884610 0.664491 0.068114
H 5.083052 1.640183 -1.493440
H 3.913751 -0.915869 1.834623
H 7.413938 1.709636 -0.596979
H 6.225230 -0.835697 2.716845
H -2.215174 -3.043386 -0.118416
H 8.008135 0.476338 1.516406
H -6.389384 -0.312341 0.398858
H -4.445615 -4.175855 0.002646
H -6.551278 -2.818470 0.263338
H -4.847757 3.623450 1.403319
H -6.486890 3.558542 0.622183
H -4.984995 3.726737 -0.386526


