%chk=000298315.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298315

0 1
O 0.492007 -0.266611 -1.596992
O 1.391260 -1.839087 0.381474
O -0.528588 1.027712 1.682267
O 3.147342 0.531162 -1.274868
O 5.486813 0.056222 0.272155
O -3.744410 -0.785640 -1.224802
N -3.121165 0.896714 0.184734
C 0.658141 0.338170 -0.314946
C 1.724181 -0.440641 0.490296
C -0.702628 0.360613 0.426940
C 3.133857 -0.354582 -0.147063
C -1.789306 1.031292 -0.433003
C 4.176728 0.262754 0.802030
C -4.012813 -0.093734 -0.259051
C -5.297590 -0.177757 0.514418
H 1.014700 1.368067 -0.558769
H 1.713234 -0.128687 1.557201
H -1.014718 -0.663139 0.741092
H 3.449885 -1.373223 -0.485199
H -1.792807 0.551365 -1.451867
H -1.568706 2.108136 -0.595388
H 4.211314 -0.251769 1.780375
H 4.004172 1.346678 0.937235
H 0.390260 -1.253208 -1.491668
H 0.842662 -2.124858 1.140952
H -3.247595 1.364978 1.075645
H -0.372726 1.986323 1.558999
H 2.544886 0.187048 -1.988497
H 5.539314 0.451871 -0.631900
H -5.961932 -0.928367 0.053194
H -5.141763 -0.484472 1.556318
H -5.846910 0.773271 0.518989


%chk=000298315-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298315

0 1
O 0.695892 -0.563614 -1.514820
O 1.598571 -1.142359 1.459285
O -0.651554 0.611805 1.799297
O 3.260999 0.534133 -1.388634
O 5.624365 -0.208893 -0.117248
O -4.205422 0.019905 -1.746227
N -3.138826 0.529732 0.256976
C 0.667400 0.321162 -0.326595
C 1.858412 0.042711 0.627243
C -0.700766 0.147504 0.380824
C 3.164100 -0.257739 -0.148042
C -1.849635 0.833645 -0.368282
C 4.422336 0.101109 0.651924
C -4.245258 0.129697 -0.483647
C -5.505282 -0.163068 0.325387
H 0.771311 1.333285 -0.757211
H 1.996288 0.941830 1.266861
H -0.920453 -0.928775 0.487898
H 3.178954 -1.342241 -0.381796
H -1.895629 0.479481 -1.413740
H -1.669481 1.931424 -0.395575
H 4.473015 -0.500606 1.573132
H 4.386322 1.181707 0.915535
H 0.697702 -1.505124 -1.199242
H 0.916957 -0.872872 2.133037
H -3.194424 0.590932 1.275508
H -0.483473 1.589760 1.816157
H 2.561696 0.186227 -2.007276
H 5.481661 0.181484 -1.020174
H -6.305454 0.528253 0.008532
H -5.849634 -1.185610 0.095286
H -5.363592 -0.068283 1.415926


