%chk=000100238.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000100238

0 1
S 1.034148 2.189253 -0.342976
F -4.655096 0.211648 0.235096
F -3.484710 -0.202981 1.942117
F -3.321847 1.671792 0.973238
O 1.663348 -2.715166 0.192157
N 1.438556 -0.434098 0.017793
N 3.265000 1.024144 0.600757
C 0.068603 -0.547596 -0.457430
C -0.980847 -0.067739 0.340277
C -2.294199 -0.181341 -0.135959
C -0.178790 -1.160279 -1.697028
C -2.555182 -0.779805 -1.375073
C 2.031488 0.823701 0.150597
C -1.495757 -1.270939 -2.145987
C 2.203833 -1.647646 0.361129
C -3.411179 0.353692 0.721033
C 3.536177 -1.365072 0.858478
C 4.016765 -0.092756 0.965144
C 2.088630 3.620002 -0.066046
H -0.774536 0.379342 1.316652
H 0.647392 -1.556756 -2.290780
H -3.575811 -0.875540 -1.751092
H -1.701389 -1.748393 -3.105651
H 4.124065 -2.239704 1.139404
H 5.022407 0.139453 1.338948
H 2.402769 3.702867 0.985142
H 1.517351 4.518013 -0.337908
H 3.004013 3.580606 -0.674432


%chk=000100238-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100238

0 1
S 1.077496 2.330618 -0.424045
F -4.671860 -0.561276 0.528913
F -3.208429 0.067935 2.151077
F -3.841079 1.544142 0.554968
O 1.543362 -2.717601 0.230033
N 1.413729 -0.362062 0.024515
N 3.269736 1.050031 0.605319
C 0.048227 -0.490376 -0.460110
C -1.021223 -0.123582 0.380348
C -2.343072 -0.263640 -0.095652
C -0.186576 -1.011744 -1.750789
C -2.595786 -0.776402 -1.389174
C 2.036443 0.882114 0.137658
C -1.512835 -1.154589 -2.210648
C 2.118033 -1.605996 0.383782
C -3.489556 0.178436 0.768660
C 3.456818 -1.370834 0.900301
C 3.966726 -0.087678 0.993767
C 2.351124 3.677860 -0.097499
H -0.826786 0.252404 1.388757
H 0.659702 -1.311307 -2.375716
H -3.625641 -0.892204 -1.740177
H -1.702996 -1.564639 -3.206943
H 4.033504 -2.246696 1.204766
H 4.972815 0.096153 1.383867
H 2.609729 3.686462 0.969493
H 1.854443 4.613834 -0.397450
H 3.249157 3.489337 -0.700421


