%chk=000212459.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212459

0 1
O 3.258112 0.162871 -0.705602
O 2.846038 2.295738 -0.009689
N -1.223770 0.262110 -0.851918
N 1.421476 1.251354 -1.548576
N -4.708685 -0.362995 0.429630
C 4.572099 0.185737 -0.022787
C 5.327350 -0.942133 -0.730464
C 4.330765 -0.083378 1.464193
C 6.649066 -1.223660 -0.005531
C 5.659642 -0.375445 2.170592
C 6.419849 -1.519050 1.483690
C -0.733931 1.566147 -0.294824
C -0.081334 -0.693842 -1.030383
C 0.293325 2.185749 -1.263395
C 0.945157 -0.083529 -2.006732
C -2.286968 -0.331606 0.021961
C 2.513339 1.322390 -0.659238
C -3.640463 0.288747 -0.387621
C -6.076488 -0.012806 -0.066491
C -7.128896 -0.589872 0.893468
C -8.549638 -0.339238 0.371455
C -9.604330 -0.902852 1.320888
H 5.028055 1.183458 -0.196206
H 4.696118 -1.852688 -0.755938
H 5.507907 -0.674014 -1.788180
H 3.828296 0.791715 1.923506
H 3.633210 -0.934329 1.582611
H 7.161627 -2.078378 -0.485963
H 7.330586 -0.357694 -0.116385
H 6.285452 0.538460 2.184326
H 5.470428 -0.629771 3.230472
H 5.853092 -2.463622 1.594249
H 7.390158 -1.682722 1.988420
H -0.288670 1.468926 0.719161
H -1.605427 2.249945 -0.200201
H -0.484228 -1.633960 -1.467120
H 0.417375 -0.964693 -0.075099
H -0.187644 2.420131 -2.240930
H 0.694516 3.138623 -0.848228
H 1.813375 -0.768156 -2.136368
H 0.480374 0.063850 -3.009483
H -2.098183 -0.188488 1.106036
H -2.340484 -1.432299 -0.139196
H -3.614527 1.393667 -0.283474
H -3.823460 0.079757 -1.465982
H -4.613465 -0.077722 1.410416
H -6.194193 -0.468661 -1.075422
H -6.228942 1.081030 -0.190242
H -7.014079 -0.150828 1.902415
H -6.956437 -1.678300 1.020284
H -8.668463 -0.796691 -0.630821
H -8.716068 0.746793 0.231078
H -9.543027 -0.442708 2.313596
H -10.616065 -0.725756 0.938933
H -9.489522 -1.984912 1.454605


%chk=000212459-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212459

0 1
O 3.464772 -0.050682 -0.578864
O 2.962602 2.145488 0.117216
N -1.431625 -0.061324 -0.546593
N 1.312212 0.744821 -0.788183
N -5.128909 -0.363373 0.286320
C 4.864977 0.138140 -0.083887
C 5.750946 -0.787154 -0.929336
C 4.935808 -0.195889 1.417178
C 7.217869 -0.726766 -0.431049
C 6.402055 -0.136269 1.915456
C 7.315654 -1.062526 1.076968
C -0.953304 1.195800 0.086630
C -0.345016 -1.074449 -0.566021
C 0.252382 1.765283 -0.684143
C 0.875190 -0.547940 -1.348756
C -2.678666 -0.581261 0.065227
C 2.594990 1.040857 -0.375676
C -3.936075 0.185108 -0.392228
C -6.421596 0.195113 -0.167340
C -7.600400 -0.450907 0.586197
C -8.975353 0.095186 0.139233
C -10.151373 -0.558850 0.896232
H 5.136189 1.200094 -0.240632
H 5.369651 -1.824298 -0.844936
H 5.684074 -0.496916 -1.994285
H 4.302482 0.511671 1.982349
H 4.530454 -1.216041 1.571949
H 7.840362 -1.424087 -1.023481
H 7.624156 0.290980 -0.605321
H 6.772961 0.906990 1.844332
H 6.443683 -0.416102 2.985337
H 7.008979 -2.117205 1.235217
H 8.365083 -0.976955 1.419021
H -0.656043 1.023766 1.153512
H -1.768365 1.940693 0.077452
H -0.722837 -1.988197 -1.060440
H -0.018656 -1.351096 0.469751
H -0.073292 2.060141 -1.701879
H 0.672519 2.645381 -0.171686
H 1.709804 -1.261566 -1.300607
H 0.584001 -0.404409 -2.409136
H -2.622967 -0.569264 1.186486
H -2.805415 -1.637601 -0.232885
H -3.805356 1.283887 -0.224076
H -4.055759 0.044891 -1.482588
H -5.038997 -0.303012 1.311476
H -6.520265 -0.013738 -1.251688
H -6.477350 1.309052 -0.051983
H -7.479188 -0.279142 1.677632
H -7.559259 -1.546956 0.433109
H -9.096980 -0.072967 -0.950332
H -9.002622 1.193821 0.289872
H -10.075081 -0.373154 1.984381
H -11.124598 -0.162130 0.553350
H -10.159109 -1.654538 0.743643


