%chk=000221357.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221357

0 1
O -3.151140 -2.143243 -1.693095
N 3.372574 0.718258 0.461630
N -0.488230 0.307283 1.596939
N -2.594319 2.097603 1.854259
C 2.562447 1.254986 1.602748
C 3.362924 1.639758 -0.720989
C 4.772738 0.400489 0.898066
C 1.875556 0.076822 2.319444
C 1.983121 1.654074 -1.401403
C 5.462514 -0.537454 -0.108500
C 0.735742 -0.523692 1.487354
C 1.586950 0.272155 -1.938047
C 4.795406 -1.918146 -0.163551
C 0.260905 0.311835 -2.690461
C 5.493962 -2.847083 -1.153316
C -1.611838 0.101251 0.832627
C -2.732293 1.033372 0.978710
C -1.732782 -0.969502 -0.062652
C -3.920189 0.820368 0.219498
C -2.930135 -1.128553 -0.789465
C -4.018222 -0.269055 -0.671391
C -4.992931 1.760471 0.403637
C -4.844017 2.805454 1.275027
C -3.608867 2.943958 1.992706
C -2.102532 -3.117030 -1.910293
H 3.166526 1.836581 2.330493
H 1.786111 1.955573 1.219288
H 4.122578 1.267303 -1.447530
H 3.659435 2.677950 -0.458672
H 4.723083 -0.102639 1.888951
H 5.393696 1.311884 1.038921
H 1.513018 0.403865 3.313059
H 2.619263 -0.722544 2.520258
H 1.999575 2.391885 -2.226339
H 1.208337 2.010093 -0.692330
H 6.528640 -0.640976 0.169203
H 5.452345 -0.080827 -1.119153
H 0.508049 -1.557562 1.832079
H 1.057328 -0.594103 0.406472
H 2.386863 -0.125285 -2.590286
H 1.515081 -0.438111 -1.077733
H 4.789808 -2.375505 0.844025
H 3.728472 -1.793595 -0.443707
H -0.452673 1.113838 2.221802
H 0.272700 1.048137 -3.501292
H -0.573030 0.573179 -2.023977
H 0.024610 -0.659894 -3.135739
H 5.009386 -3.829269 -1.182791
H 5.472434 -2.441506 -2.171142
H 6.544415 -3.007804 -0.886681
H -0.917629 -1.666885 -0.196214
H -4.917080 -0.438153 -1.252376
H -5.911856 1.616020 -0.162868
H -5.635291 3.533142 1.438080
H -3.475227 3.776327 2.690538
H -1.205394 -2.628522 -2.301845
H -1.898506 -3.665663 -0.986417
H -2.557114 -3.771512 -2.665061


%chk=000221357-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221357

0 1
O -3.054724 -2.146725 -1.761172
N 3.272238 0.864208 0.458316
N -0.438749 0.290700 1.663244
N -2.507191 1.988208 2.000293
C 2.494239 1.328683 1.637727
C 3.219836 1.827185 -0.678384
C 4.661960 0.462739 0.812663
C 1.898983 0.155403 2.451583
C 1.934900 1.694452 -1.527411
C 5.245238 -0.618699 -0.124745
C 0.752234 -0.559039 1.709637
C 1.897628 0.399740 -2.369781
C 4.545074 -1.988375 0.015003
C 0.576877 0.226565 -3.149441
C 5.070649 -3.037421 -0.987728
C -1.555233 0.062542 0.889809
C -2.667231 0.985545 1.064270
C -1.676720 -0.990960 -0.042914
C -3.866071 0.817614 0.274510
C -2.873818 -1.126107 -0.811425
C -3.957790 -0.245772 -0.667736
C -4.916927 1.770619 0.503936
C -4.746888 2.784178 1.450530
C -3.520647 2.858918 2.183985
C -1.954530 -3.085180 -1.988843
H 3.118549 1.968895 2.309181
H 1.664165 1.964555 1.278540
H 4.092743 1.635560 -1.331253
H 3.324759 2.878895 -0.312315
H 4.651368 0.060131 1.844274
H 5.342049 1.351669 0.830377
H 1.534527 0.530916 3.430666
H 2.692043 -0.583702 2.671985
H 1.861067 2.574843 -2.199541
H 1.044729 1.728772 -0.867095
H 6.327589 -0.730346 0.095627
H 5.174962 -0.277993 -1.177813
H 0.524214 -1.530117 2.202801
H 1.100286 -0.782401 0.680376
H 2.751548 0.405332 -3.079355
H 2.058769 -0.462723 -1.693184
H 4.684207 -2.362174 1.051042
H 3.456553 -1.839766 -0.123589
H -0.550225 1.066151 2.328193
H 0.404981 1.076496 -3.837142
H -0.285992 0.177425 -2.458825
H 0.583125 -0.698231 -3.757547
H 4.565824 -4.012540 -0.856869
H 4.901394 -2.706654 -2.030148
H 6.158016 -3.201315 -0.861818
H -0.853886 -1.698449 -0.167490
H -4.853723 -0.390413 -1.277929
H -5.847090 1.689430 -0.070370
H -5.535376 3.519502 1.640680
H -3.365514 3.643104 2.933885
H -1.044974 -2.563320 -2.344633
H -1.718726 -3.664167 -1.074610
H -2.319997 -3.766591 -2.771528


