%chk=000291732.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291732

0 1
O 2.178266 1.389621 0.582371
O 2.944443 -1.580029 1.606323
O 2.495716 2.455268 -2.561626
O 5.117736 -2.083524 1.729067
N 0.058026 0.517948 1.148380
N -2.035053 1.358804 1.609966
N -0.472986 -0.621478 -1.022246
N -4.432602 0.768436 -0.365869
N -2.829693 -0.413444 -1.646520
C 2.795517 -0.609431 -0.613290
C 2.004537 -0.999509 0.667053
C 2.707544 0.929484 -0.697761
C 1.514697 0.334376 1.285677
C 4.214056 -1.133608 -0.367919
C 1.794375 1.454347 -1.817350
C 4.232430 -1.646275 1.053295
C -0.777327 0.123850 0.090202
C -0.774172 1.292672 2.034497
C -2.083744 0.641393 0.399349
C -3.145700 0.349552 -0.520563
C -1.553906 -0.843912 -1.828543
C -4.837095 1.577942 0.804179
C -5.494144 0.436334 -1.341220
H 2.338967 -1.082310 -1.513073
H 1.218449 -1.767568 0.520664
H 3.703023 1.427233 -0.745893
H 1.814600 0.469039 2.355616
H 4.996722 -0.361033 -0.510635
H 4.483439 -1.948941 -1.070248
H 0.852249 1.863900 -1.408679
H 1.556688 0.688302 -2.580715
H -0.372724 1.740001 2.933548
H 2.529077 3.295085 -2.056780
H -1.372473 -1.442441 -2.738506
H -4.257041 2.521092 0.850341
H -4.637410 1.033741 1.748651
H -5.907386 1.827917 0.764554
H -5.100635 -0.168788 -2.184353
H -5.925974 1.357503 -1.767855
H -6.292491 -0.150845 -0.856489


%chk=000291732-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291732

0 1
O 2.191805 1.529395 0.428035
O 3.120935 -1.236553 1.679573
O 2.431687 2.979903 -2.009299
O 5.335087 -1.927661 1.516643
N 0.019072 0.649747 1.094821
N -2.075624 1.426565 1.622121
N -0.501780 -0.564574 -1.009759
N -4.508482 0.709613 -0.306376
N -2.882581 -0.443243 -1.580816
C 2.690723 -0.632092 -0.639858
C 2.024642 -0.850986 0.750619
C 2.886610 0.904716 -0.751702
C 1.479071 0.517183 1.210190
C 4.001271 -1.437723 -0.551923
C 2.293258 1.523957 -2.025043
C 4.296092 -1.573108 0.947736
C -0.833927 0.195532 0.076781
C -0.787787 1.388013 1.982436
C -2.131532 0.679034 0.420516
C -3.202552 0.329488 -0.475455
C -1.599341 -0.835541 -1.782468
C -4.928739 1.536544 0.844137
C -5.547613 0.306703 -1.272221
H 2.006066 -0.985797 -1.425259
H 1.264362 -1.646234 0.764492
H 3.945626 1.207729 -0.649980
H 1.729440 0.688070 2.271726
H 4.859782 -0.971468 -1.061220
H 3.887436 -2.457011 -0.966007
H 1.233538 1.212074 -2.129092
H 2.857386 1.183419 -2.911184
H -0.371643 1.867829 2.866057
H 2.037232 3.302872 -1.157656
H -1.421271 -1.442396 -2.675758
H -4.389198 2.498516 0.865459
H -4.724870 1.027507 1.801683
H -6.010010 1.727269 0.755883
H -5.077996 -0.300156 -2.058989
H -6.016336 1.200446 -1.725679
H -6.331840 -0.286881 -0.765562


