%chk=000292023.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292023

0 1
S 2.479816 -1.843750 0.018388
F -4.083816 1.283207 0.325713
F -3.675615 -0.562306 1.261088
F -2.310957 1.043372 1.447821
O 3.252391 -2.685813 0.898212
O 2.923448 -1.510195 -1.316907
O 0.153496 3.931347 0.782693
O 0.143238 2.748980 -1.031512
N 0.955518 -2.662080 -0.198304
N 0.330011 -2.595196 -1.470775
N 0.391999 2.918714 0.149698
C 2.024213 -0.399613 0.857612
C -0.608881 -1.503243 -1.584240
C 1.429099 0.653989 0.163191
C 2.242306 -0.305147 2.238504
C -2.326652 -0.066233 -0.664422
C -1.365295 -1.068200 -0.482783
C 1.041531 1.801106 0.872383
C -0.834544 -0.946085 -2.861397
C 1.857373 0.845058 2.935817
C -2.555690 0.490603 -1.926048
C 1.249922 1.903712 2.259086
C -1.809506 0.035537 -3.021406
C -3.087885 0.411571 0.545138
H 0.846971 -3.625604 0.174792
H 1.258841 0.606528 -0.924534
H 1.024058 -2.594638 -2.250034
H 2.720869 -1.135646 2.777261
H -1.200941 -1.519083 0.498760
H -0.254018 -1.280028 -3.721703
H 2.028113 0.913661 4.012261
H -3.296432 1.277285 -2.075031
H 0.932819 2.810862 2.790479
H -1.986800 0.467128 -4.008402


%chk=000292023-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000292023

0 1
S 2.216997 -1.702279 1.596838
F -5.678615 -0.462473 -2.935647
F -5.521870 -2.498329 -1.941748
F -5.960380 -0.652038 -0.698735
O 3.623804 -2.510573 1.826904
O 1.822974 -1.597913 -0.214633
O 1.783469 4.731153 0.865490
O 0.232149 3.148828 0.327256
N -0.911517 -3.990745 -1.098503
N -0.493158 -2.775385 -0.949760
N 1.388602 3.507824 0.783778
C 2.765962 0.115160 1.615834
C -1.464162 -1.733119 -1.186906
C 1.856007 1.108923 1.234040
C 4.086941 0.399198 1.999597
C -3.712119 -0.911065 -1.585862
C -2.842828 -1.997145 -1.395192
C 2.318910 2.440597 1.233043
C -0.967900 -0.404966 -1.176780
C 4.516526 1.748734 2.002393
C -3.230468 0.426611 -1.567880
C 3.635316 2.781752 1.618512
C -1.857762 0.674985 -1.365441
C -5.186693 -1.138495 -1.788779
H -0.109107 -4.633572 -0.884641
H 0.830960 0.889050 0.926785
H 1.005153 -2.204780 -0.434677
H 4.754152 -0.431391 2.260925
H -3.200423 -3.030743 -1.401259
H 0.106139 -0.240384 -1.036643
H 5.542386 1.992204 2.295194
H -3.926743 1.259102 -1.711817
H 3.946259 3.829656 1.603280
H -1.479964 1.701417 -1.343564


