%chk=000279527.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279527

0 1
Cl 0.218155 2.794308 0.211477
Cl -3.791399 2.478897 -0.078275
S -7.810568 -1.088498 -0.105797
F -8.359647 -0.910434 1.365308
O -8.473597 -0.056130 -0.840616
O -7.999656 -2.482869 -0.366700
N 4.493087 -0.010338 -0.140362
N 6.405145 -0.448423 1.413458
N 6.608015 -0.832347 -0.994654
N 4.773855 -0.699995 -2.455033
N 8.416538 -1.269655 0.483973
C 5.116309 0.232689 1.268341
C 3.063771 0.053742 -0.298882
C 5.321670 1.750231 1.397890
C 4.163009 -0.321209 2.331290
C -1.231836 0.276347 -0.753573
C 0.258809 0.206479 -0.592423
C 5.322857 -0.503844 -1.169884
C -1.941003 0.140122 0.606727
C 2.396573 1.256369 -0.010693
C 2.332476 -1.070288 -0.730364
C 1.011113 1.307451 -0.157474
C 0.949538 -0.984536 -0.875389
C 7.092290 -0.835606 0.350541
C -3.400119 -0.155396 0.426916
C -4.325953 0.857586 0.111731
C -3.880311 -1.468406 0.566429
C -6.139367 -0.727731 0.097279
C -5.685853 0.585936 -0.053561
C -5.236889 -1.752930 0.403478
H 5.800331 1.979672 2.360879
H 5.987378 2.139316 0.617711
H 4.378784 2.306471 1.346388
H 3.907090 -1.371166 2.143480
H 4.655954 -0.296733 3.316214
H 3.235371 0.252354 2.409767
H -1.528383 1.233017 -1.239370
H -1.584078 -0.517504 -1.445286
H -1.797379 1.072713 1.199061
H -1.450471 -0.654972 1.207921
H 2.958773 2.132966 0.329073
H 2.850065 -2.006374 -0.950664
H 0.392829 -1.861337 -1.210810
H 5.453618 -0.907732 -3.185158
H 4.046329 -0.063488 -2.755311
H -3.185175 -2.274938 0.804465
H -6.383071 1.396591 -0.306309
H -5.591664 -2.786147 0.509208
H 8.724682 -1.515449 1.415415
H 8.793304 -1.838581 -0.261536


%chk=000279527-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279527

0 1
Cl 0.118748 2.819005 0.079094
Cl -3.761288 2.502242 0.349520
S -8.058125 -0.974311 -0.205023
F -8.560809 -1.037161 1.580826
O -8.742417 0.345438 -0.813253
O -8.334866 -2.444724 -0.789428
N 4.536825 -0.012656 -0.072541
N 6.390628 -0.552878 1.483835
N 6.668662 -0.721199 -0.948009
N 4.899705 -0.321234 -2.409437
N 8.243274 -1.623044 0.518682
C 5.225864 0.325542 1.276861
C 3.116818 0.032733 -0.257020
C 5.700598 1.804543 1.237215
C 4.246205 0.076763 2.438775
C -1.256198 0.080932 -0.759211
C 0.253552 0.092013 -0.605312
C 5.395485 -0.356666 -1.121262
C -1.983528 -0.108992 0.617687
C 2.388851 1.234804 -0.053183
C 2.406310 -1.135916 -0.644789
C 0.992619 1.234778 -0.215624
C 1.010511 -1.092062 -0.822479
C 7.053311 -0.929230 0.397860
C -3.478200 -0.293220 0.445827
C -4.380133 0.793567 0.294233
C -4.028711 -1.603434 0.392275
C -6.227918 -0.706739 0.062499
C -5.764025 0.616427 0.106774
C -5.406017 -1.835685 0.201991
H 6.265968 2.021826 2.159818
H 6.371543 1.969791 0.375513
H 4.852157 2.510310 1.173063
H 3.877671 -0.962715 2.414002
H 4.810668 0.213493 3.375280
H 3.388681 0.769705 2.434926
H -1.609117 1.023549 -1.214485
H -1.549450 -0.746780 -1.430819
H -1.768178 0.770845 1.249420
H -1.558856 -0.997287 1.119058
H 2.911401 2.155674 0.215997
H 2.958730 -2.068284 -0.797846
H 0.478563 -2.000962 -1.128511
H 5.531506 -0.617748 -3.149277
H 3.999409 0.094750 -2.631596
H -3.354625 -2.458667 0.511776
H -6.442680 1.466556 -0.008488
H -5.820137 -2.847133 0.158433
H 8.619154 -1.806650 1.444200
H 8.703162 -1.959712 -0.321553


