%chk=000288458.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288458

0 1
O 1.939431 -0.183810 0.520321
O 1.166661 -2.295600 0.812275
O -0.833184 3.494684 -0.607091
O -3.764900 -2.848432 0.065756
O -2.963646 3.254071 -0.922635
O -4.992576 -1.139911 -0.455280
N -1.853859 2.833157 -0.657438
N -3.932394 -1.669024 -0.179124
C 4.222077 0.373767 0.061399
C 3.329721 -0.608837 0.847712
C 4.111570 0.108724 -1.454636
C 3.882231 1.832249 0.376630
C 3.469550 -0.536978 2.355785
C 4.767236 -1.202842 -1.875191
C 0.962655 -1.131896 0.551952
C -0.355893 -0.519570 0.214886
C -1.483691 -1.351720 0.177342
C -0.468955 0.849683 -0.056705
C -1.730657 1.382226 -0.368873
C -2.732916 -0.793283 -0.137425
C -2.874109 0.573420 -0.413477
H 5.278052 0.177769 0.381973
H 3.446553 -1.653545 0.475133
H 3.044493 0.115082 -1.753687
H 4.580142 0.947500 -2.007446
H 4.036012 2.062997 1.436592
H 2.834022 2.057299 0.142572
H 4.505603 2.524032 -0.201114
H 2.869951 -1.315917 2.848023
H 4.509975 -0.677600 2.672803
H 3.131698 0.429946 2.751491
H 4.689243 -1.350661 -2.959352
H 5.833458 -1.225734 -1.622142
H 4.295979 -2.070884 -1.398496
H -1.390562 -2.430865 0.392363
H 0.420887 1.501837 -0.026095
H -3.861860 1.001963 -0.659902


%chk=000288458-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000288458

0 1
O 1.966516 -0.071910 0.596990
O 1.217827 -2.287021 0.694594
O -1.028883 3.605723 -0.318262
O -3.607575 -3.073335 -0.282894
O -3.238115 3.233537 -0.753768
O -4.993378 -1.315198 -0.728881
N -2.048567 2.831986 -0.466801
N -3.842206 -1.817266 -0.441590
C 4.327255 0.368578 0.073762
C 3.383847 -0.486584 0.950804
C 4.135236 0.083189 -1.442901
C 4.212948 1.884292 0.362645
C 3.543393 -0.322222 2.466886
C 4.360540 -1.384680 -1.869176
C 1.006553 -1.062398 0.516968
C -0.342997 -0.490996 0.181681
C -1.425434 -1.389135 0.032708
C -0.542871 0.899198 0.018345
C -1.834635 1.365350 -0.294154
C -2.696888 -0.873421 -0.281324
C -2.935619 0.503316 -0.452028
H 5.351952 0.036081 0.351296
H 3.471866 -1.554458 0.681899
H 3.119395 0.409278 -1.742351
H 4.843623 0.730785 -1.996281
H 4.454870 2.130873 1.411527
H 3.191380 2.248252 0.151255
H 4.912434 2.448005 -0.280618
H 2.894098 -1.033273 3.005994
H 4.589884 -0.529584 2.756783
H 3.290612 0.700642 2.791888
H 4.319970 -1.479698 -2.969459
H 5.351714 -1.750255 -1.539058
H 3.594367 -2.065594 -1.455677
H -1.270102 -2.464524 0.160414
H 0.285514 1.601340 0.133186
H -3.930525 0.884425 -0.695504


