%chk=000298633.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298633

0 1
O 6.165913 2.319788 0.019214
O 2.768841 0.096602 1.531413
O -3.456393 -1.899988 0.066749
N 3.452579 1.221406 -0.330479
N 4.228118 -1.490582 -1.060032
C 3.730787 2.480117 0.412413
C 3.566386 3.677745 -0.537838
C 3.336427 5.000375 0.225239
C 2.859803 -1.173102 -0.559069
C 5.152268 2.428193 1.026163
C 3.025054 0.078021 0.336269
C 3.479895 6.187190 -0.736230
C 1.960598 5.020430 0.902121
C 2.184033 -2.312491 0.234384
C 0.687421 -2.177708 0.215610
C 0.050510 -1.320525 1.123330
C -0.082214 -2.906120 -0.709697
C 4.212573 -2.347907 -2.276982
C -1.340160 -1.181441 1.124534
C -1.467190 -2.785910 -0.729428
C -2.084386 -1.919325 0.196219
C -4.210214 -1.032460 0.968570
C -5.655962 -1.248031 0.613444
C -6.589301 -0.245290 0.917480
C -6.078137 -2.439476 0.008778
C -7.940138 -0.442033 0.619917
C -7.430182 -2.626733 -0.291730
C -8.362534 -1.630941 0.015220
H 2.988270 2.548497 1.259222
H 4.475140 3.768141 -1.170024
H 2.723090 3.504832 -1.233860
H 4.122614 5.096537 1.016227
H 3.793486 1.164497 -1.288089
H 2.203136 -0.900230 -1.429479
H 5.404713 3.380503 1.530096
H 5.249272 1.591484 1.741086
H 4.478806 6.221071 -1.185193
H 2.752097 6.139839 -1.553210
H 3.323393 7.138733 -0.216394
H 1.147630 4.971816 0.169405
H 1.834352 4.170488 1.583390
H 1.818379 5.935235 1.486962
H 2.489755 -3.294435 -0.176314
H 2.548555 -2.304418 1.287466
H 4.769468 -1.957414 -0.321071
H 6.131758 1.434354 -0.399197
H 0.655278 -0.746244 1.835867
H 0.406926 -3.572966 -1.418585
H 3.719080 -3.323727 -2.151869
H 3.709944 -1.815438 -3.101635
H 5.254733 -2.524867 -2.593096
H -1.811271 -0.512991 1.836211
H -2.080422 -3.339357 -1.435757
H -3.882550 0.009535 0.799348
H -4.000886 -1.341816 2.010480
H -6.268123 0.684171 1.382606
H -5.342823 -3.209859 -0.232092
H -8.665498 0.334288 0.857742
H -7.756261 -3.551427 -0.765257
H -9.415238 -1.779440 -0.216868


%chk=000298633-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298633

0 1
O 6.188894 2.015913 1.342534
O 2.009525 0.852457 1.440068
O -3.883139 -2.517224 0.036399
N 3.612014 1.548976 -0.106761
N 3.538751 -0.726936 -1.495432
C 3.944730 2.823109 0.569181
C 4.538080 3.798271 -0.474648
C 4.887650 5.214349 0.054746
C 2.357669 -0.498273 -0.616491
C 4.887158 2.553887 1.768463
C 2.643887 0.686063 0.349195
C 5.510093 6.054181 -1.086298
C 3.660607 5.942352 0.654457
C 1.845675 -1.767577 0.157344
C 0.331282 -1.944070 0.159803
C -0.510867 -1.063964 0.884230
C -0.278134 -2.991672 -0.582025
C 3.242148 -1.408623 -2.776153
C -1.915669 -1.216545 0.872928
C -1.676165 -3.159030 -0.604087
C -2.500495 -2.268914 0.125112
C -4.776846 -1.636457 0.796772
C -6.208942 -2.104330 0.608662
C -7.269559 -1.215713 0.917010
C -6.510561 -3.415109 0.168516
C -8.613283 -1.634128 0.799161
C -7.855914 -3.831426 0.044325
C -8.911234 -2.945909 0.361836
H 3.001009 3.225610 0.986433
H 5.462503 3.346629 -0.890283
H 3.813380 3.898549 -1.309376
H 5.655436 5.107012 0.847811
H 4.029392 1.278437 -1.010589
H 1.541676 -0.153903 -1.283916
H 5.125695 3.493169 2.292559
H 4.382716 1.866477 2.475696
H 6.402990 5.557605 -1.509903
H 4.781354 6.202418 -1.906974
H 5.816257 7.052747 -0.723480
H 2.849874 6.024569 -0.095525
H 3.250855 5.419299 1.537811
H 3.931193 6.966595 0.971293
H 2.305881 -2.655748 -0.317608
H 2.219752 -1.711213 1.196676
H 4.289099 -1.210267 -0.978646
H 6.018572 1.148746 0.892907
H -0.049762 -0.252506 1.459211
H 0.350920 -3.691091 -1.147634
H 2.756190 -2.404380 -2.661945
H 2.568352 -0.773691 -3.378479
H 4.178381 -1.544787 -3.345297
H -2.531025 -0.516645 1.446337
H -2.146989 -3.966614 -1.173355
H -4.661825 -0.588524 0.448797
H -4.495079 -1.672787 1.871819
H -7.047360 -0.192903 1.248307
H -5.688653 -4.090971 -0.083257
H -9.424235 -0.937747 1.040539
H -8.079492 -4.847351 -0.300842
H -9.953214 -3.271195 0.265768


