%chk=000180043.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180043

0 1
S 2.809012 -1.949252 0.153945
F -4.064465 3.478095 0.585831
F -1.981915 3.209571 0.782314
F -2.899270 3.046014 -1.120346
O 0.245948 -0.671967 1.218626
O 1.844967 1.260082 1.026697
O 0.897345 1.028606 -0.996787
O 5.774571 1.810002 -1.097289
N -1.218591 -1.902070 -0.054639
N 4.287161 0.814274 0.307656
N -1.513475 -2.946990 -0.835163
N 1.826856 -4.273290 -1.549870
C 3.300698 0.603288 -0.764024
C 3.276264 -0.856219 -1.227795
C 1.170855 -2.375296 -0.194158
C -2.338772 -1.020775 0.261133
C 0.149416 -1.565521 0.405887
C 0.869311 -3.470917 -0.995315
C -2.179749 0.359235 0.052032
C -3.240454 1.211669 0.378924
C -3.534930 -1.552496 0.765757
C 1.889778 0.983222 -0.302575
C -0.544670 -3.731438 -1.270793
C -4.442566 0.697090 0.884158
C -4.583406 -0.681453 1.070889
C 5.498238 1.466824 0.040067
C -3.058323 2.691937 0.165487
C 6.382432 1.671677 1.234239
H 3.572419 1.266101 -1.647490
H 4.288120 -1.162268 -1.564901
H 2.595562 -0.980705 -2.091693
H 4.002199 0.534487 1.247663
H -1.233563 0.752480 -0.354963
H -3.645336 -2.628340 0.911368
H -0.845230 -4.588123 -1.883243
H -5.275641 1.356274 1.135081
H -5.520361 -1.081088 1.461405
H 1.584945 -5.079557 -2.099986
H 2.808835 -4.139921 -1.336381
H 7.324225 2.155296 0.925007
H 5.917891 2.325326 1.986231
H 6.649355 0.728666 1.729327
H 0.903416 1.279371 1.389887


%chk=000180043-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180043

0 1
S 2.882429 -1.885906 0.334683
F -4.216540 3.331113 1.321834
F -2.142514 3.213898 0.401716
F -3.980855 3.137883 -0.920292
O 0.114668 -0.525972 1.298444
O 1.920163 1.226734 1.017694
O 1.059219 1.069254 -1.143831
O 6.239252 0.858119 -1.153246
N -1.262670 -1.791693 -0.094488
N 4.422908 1.089340 0.266045
N -1.538732 -2.882705 -0.882544
N 1.863735 -4.130187 -1.485360
C 3.457771 0.751143 -0.779108
C 3.463378 -0.768836 -1.128218
C 1.135186 -2.232378 -0.131232
C -2.419921 -0.981456 0.238548
C 0.045014 -1.452753 0.417083
C 0.869006 -3.338029 -0.971624
C -2.339249 0.424854 0.144560
C -3.486385 1.185537 0.450295
C -3.624571 -1.622087 0.598954
C 2.030135 1.088974 -0.347950
C -0.515207 -3.629963 -1.286475
C -4.701143 0.563276 0.827929
C -4.763747 -0.843079 0.894504
C 5.778603 1.137217 0.000395
C -3.445666 2.682623 0.320900
C 6.671064 1.547915 1.165157
H 3.718934 1.284098 -1.712727
H 4.496477 -1.080113 -1.349487
H 2.801477 -0.973382 -1.984349
H 4.031234 1.270732 1.194660
H -1.408057 0.910661 -0.161574
H -3.661452 -2.714102 0.640131
H -0.787144 -4.488246 -1.908824
H -5.576875 1.172144 1.071871
H -5.698153 -1.334289 1.182336
H 1.656669 -4.931472 -2.076488
H 2.828137 -3.937207 -1.201757
H 7.429540 0.764951 1.336376
H 7.211467 2.471674 0.894589
H 6.114596 1.722222 2.101652
H 1.076922 0.711395 1.331418


