%chk=000237415.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237415

0 1
I -3.856874 -2.308203 0.136437
O -3.083354 0.981645 -0.029270
O 1.038894 1.817207 0.236858
O 5.097527 -0.367763 -0.206243
O -3.530356 1.328329 -2.218426
N -0.150909 -0.951246 0.980569
N 3.070226 0.747577 0.020325
N 3.303202 -1.655478 0.378484
N 1.175433 -2.815415 1.016942
C -1.322398 -0.073732 1.038006
C -1.964856 0.103690 -0.357484
C 1.145637 -0.536550 0.627821
C 1.943721 -1.712053 0.667540
C -0.093570 -2.325341 1.192965
C 1.659346 0.774406 0.299806
C -2.448796 -1.166052 -1.022088
C 3.910490 -0.405448 0.045727
C 3.743973 2.034217 -0.309998
C -3.805725 1.554235 -1.066006
C -4.871041 2.406161 -0.480478
H -2.076611 -0.473092 1.761452
H -1.017993 0.939211 1.418123
H -1.284738 0.665730 -1.049590
H -0.950109 -2.935297 1.471689
H -2.964508 -0.931884 -1.978149
H -1.615508 -1.846921 -1.264103
H 3.881886 -2.500522 0.406561
H 4.487627 1.885759 -1.113719
H 4.264477 2.434529 0.576852
H 2.994728 2.776325 -0.644678
H -4.853981 2.409918 0.622365
H -5.868100 2.055530 -0.796300
H -4.770238 3.449724 -0.822186


%chk=000237415-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237415

0 1
I -3.745342 -2.471694 -0.279089
O -3.177268 0.925003 0.065940
O 0.876199 1.766919 0.043167
O 5.095836 -0.342632 -0.255620
O -3.204687 1.728489 -2.125478
N -0.158548 -0.987012 1.097786
N 2.989973 0.697566 -0.096150
N 3.285137 -1.610415 0.497143
N 1.250084 -2.783335 1.300461
C -1.384563 -0.173099 1.160208
C -1.954262 0.138372 -0.240581
C 1.112925 -0.560140 0.670868
C 1.941794 -1.683864 0.815737
C -0.018946 -2.320839 1.457750
C 1.582212 0.720547 0.199900
C -2.246114 -1.073024 -1.127135
C 3.871088 -0.418070 0.031348
C 3.616554 1.946229 -0.589958
C -3.709503 1.703809 -0.983641
C -4.931529 2.449337 -0.505429
H -2.137614 -0.723616 1.748702
H -1.164333 0.783743 1.659959
H -1.248453 0.791877 -0.793808
H -0.853057 -2.916738 1.820339
H -2.660415 -0.764662 -2.096466
H -1.340924 -1.683079 -1.271098
H 3.899355 -2.420859 0.596386
H 4.063835 1.776003 -1.582712
H 4.415115 2.265522 0.099357
H 2.828321 2.710496 -0.647474
H -5.691129 1.732647 -0.147715
H -5.343599 3.052003 -1.326993
H -4.670641 3.103714 0.344097


