%chk=000212702.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212702

0 1
O 6.162475 -0.221981 0.368899
O -0.116263 2.386279 1.387828
O 1.406883 -1.287319 -1.161985
N 3.651941 1.041595 -0.038275
N -1.152586 0.535561 0.377866
N -0.684864 -0.510396 -0.488532
C 4.058062 -0.110708 -0.879039
C 4.823023 1.817726 0.469636
C 1.191363 0.746515 0.166024
C 5.038153 -0.998372 -0.099176
C 5.775074 0.868114 1.221384
C 2.416127 1.338237 0.410036
C -0.014509 1.384942 0.716404
C 0.777623 -0.449197 -0.546823
C -2.439365 1.125105 0.061013
C -1.358907 -1.791114 -0.385805
C -2.956611 2.050963 0.988300
C -1.035364 -2.757602 -1.357911
C -3.178570 0.765537 -1.077979
C -2.330223 -2.059362 0.593075
C -4.219118 2.601447 0.768693
C -1.696983 -3.985576 -1.343906
C -4.443665 1.324267 -1.274190
C -2.985293 -3.292824 0.583802
C -4.968015 2.239054 -0.356488
C -2.674157 -4.256663 -0.379873
H 4.536751 0.281393 -1.806337
H 3.171295 -0.715103 -1.217449
H 4.505092 2.658169 1.122361
H 5.349916 2.268381 -0.405922
H 4.557008 -1.500368 0.758616
H 5.524850 -1.748630 -0.750612
H 6.743826 1.350608 1.450893
H 5.320727 0.471019 2.146466
H 2.361026 2.244128 1.068599
H -2.367575 2.344830 1.860819
H -0.263993 -2.551052 -2.103565
H -2.777366 0.059887 -1.805596
H -2.576249 -1.318310 1.354005
H -4.622308 3.319483 1.482169
H -1.448464 -4.737084 -2.092538
H -5.022099 1.043640 -2.153791
H -3.742998 -3.502389 1.338132
H -5.953335 2.669758 -0.517172
H -3.188433 -5.214687 -0.379452


%chk=000212702-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212702

0 1
O 6.366389 -0.107879 0.292003
O -0.068840 2.473604 1.310954
O 1.457779 -1.458315 -1.087605
N 3.709463 1.001590 0.049801
N -1.114007 0.578201 0.297560
N -0.645584 -0.565811 -0.442465
C 4.141700 -0.109899 -0.839641
C 4.845123 1.835725 0.525738
C 1.203138 0.694059 0.150521
C 5.227043 -0.944441 -0.132811
C 5.902602 0.940282 1.208479
C 2.439223 1.293287 0.414836
C 0.008311 1.376950 0.682442
C 0.783432 -0.526515 -0.541082
C -2.430254 1.101330 0.056684
C -1.402180 -1.789526 -0.409613
C -2.995937 1.985241 1.011491
C -1.177714 -2.761460 -1.417509
C -3.151191 0.757876 -1.115216
C -2.349768 -2.029584 0.617652
C -4.277519 2.527567 0.778733
C -1.896719 -3.975300 -1.381208
C -4.438101 1.296995 -1.323383
C -3.070607 -3.242007 0.630147
C -5.008570 2.184689 -0.382345
C -2.848468 -4.221886 -0.364697
H 4.562363 0.337825 -1.761793
H 3.273243 -0.743336 -1.097045
H 4.475562 2.604272 1.226240
H 5.305347 2.339055 -0.347098
H 4.791999 -1.463621 0.747268
H 5.649236 -1.689531 -0.825004
H 6.796503 1.528934 1.471547
H 5.474841 0.485513 2.128330
H 2.343523 2.193543 1.042149
H -2.425349 2.254187 1.902739
H -0.438547 -2.570469 -2.197887
H -2.710079 0.083598 -1.854156
H -2.517583 -1.279450 1.395268
H -4.706956 3.216460 1.514500
H -1.714742 -4.727109 -2.157111
H -4.992224 1.024687 -2.228542
H -3.804483 -3.420614 1.423808
H -6.007422 2.601326 -0.550938
H -3.410072 -5.162144 -0.349137


