%chk=000299962.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299962

0 1
O 1.076381 -1.487642 -2.074370
O -3.844677 -1.409724 0.369354
O -1.735898 2.904790 -0.170063
O -4.115959 1.307263 0.342640
N 1.910865 -1.183294 0.028117
C 4.304937 -0.558738 -0.604857
C 2.852875 0.828145 1.289353
C 3.689807 0.745556 -1.142696
C 5.088137 -0.294633 0.694414
C 2.918334 1.538594 -0.073787
C 4.268704 0.446239 1.762035
C 3.243515 -1.671611 -0.420599
C 1.906753 -0.401495 1.287589
C 0.918362 -1.029515 -0.951446
C -0.394810 -0.412019 -0.536090
C -0.524807 0.969379 -0.494918
C -1.472004 -1.261513 -0.252651
C -2.711188 -0.695427 0.064338
C -1.774889 1.537854 -0.161604
C -2.881525 0.714407 0.126545
C -3.781721 -2.854902 0.252552
C -2.963326 3.637769 0.087449
C -4.745866 0.947721 1.603044
H 5.032047 -0.936433 -1.368593
H 2.429814 1.551017 2.033001
H 3.021226 0.509204 -1.995342
H 4.494877 1.378648 -1.560472
H 5.989395 0.300179 0.448427
H 5.464643 -1.249906 1.104465
H 3.394727 2.528022 0.063910
H 1.886856 1.750937 -0.433574
H 4.204214 -0.166955 2.679858
H 4.805125 1.368755 2.057812
H 3.106225 -2.213917 -1.388832
H 3.593799 -2.420799 0.321866
H 2.198334 -1.097052 2.108625
H 0.870250 -0.071514 1.520054
H 0.320032 1.630549 -0.718369
H -1.337019 -2.337545 -0.312058
H -3.074170 -3.263693 0.978873
H -3.528205 -3.142495 -0.772909
H -4.813215 -3.140309 0.495600
H -3.276433 3.481119 1.122912
H -3.748663 3.319483 -0.609010
H -2.647104 4.670460 -0.096820
H -4.093606 1.198731 2.441014
H -5.000323 -0.119662 1.598823
H -5.648430 1.567272 1.588187


%chk=000299962-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299962

0 1
O 0.706582 -2.131031 -1.504685
O -4.146792 -1.455733 0.250429
O -1.871655 2.861813 0.416709
O -4.263700 1.320628 0.631365
N 1.956276 -0.910055 0.041528
C 4.325841 -0.472556 -0.761678
C 3.195110 0.874030 1.380047
C 3.732152 0.906131 -1.160379
C 5.306269 -0.297654 0.425119
C 3.265667 1.729942 0.087811
C 4.600102 0.279567 1.691082
C 3.202562 -1.520295 -0.472060
C 2.071221 -0.206585 1.335982
C 0.754760 -1.243445 -0.586126
C -0.521466 -0.536783 -0.187455
C -0.624414 0.864160 -0.045363
C -1.690543 -1.332678 -0.107079
C -2.940189 -0.739521 0.166824
C -1.873545 1.467871 0.225983
C -3.044053 0.672143 0.371329
C -4.099111 -2.890021 -0.054694
C -2.804089 3.655059 -0.415736
C -5.013483 0.873175 1.826773
H 4.902628 -0.867075 -1.622541
H 2.924700 1.539006 2.226142
H 2.889147 0.752207 -1.858417
H 4.502096 1.477731 -1.713472
H 6.117872 0.383774 0.101977
H 5.788501 -1.266273 0.659388
H 3.976544 2.558445 0.275536
H 2.287372 2.206497 -0.111004
H 4.497100 -0.500843 2.470328
H 5.231059 1.073973 2.134656
H 2.921350 -2.057864 -1.392177
H 3.572577 -2.275299 0.254210
H 2.279239 -0.956930 2.131245
H 1.099711 0.250643 1.573353
H 0.240569 1.521721 -0.164232
H -1.596400 -2.403389 -0.304070
H -3.466724 -3.435895 0.671603
H -3.722564 -3.065442 -1.079967
H -5.141002 -3.233352 0.025306
H -3.846627 3.344340 -0.240449
H -2.546272 3.541542 -1.486627
H -2.647770 4.698538 -0.102041
H -4.391191 0.991979 2.733904
H -5.332087 -0.175735 1.713433
H -5.886932 1.540840 1.879987


