%chk=000004999.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004999

0 1
 Cl  0.8736000      -4.804200      0.3772000    
 S   -2.366100       3.006800       1.634700    
 F   -4.215100      0.8753000      -2.206200    
 F   -2.443600       2.025900      -1.665300    
 F   -2.269100     -0.1046000      -2.122000    
 F    3.301300       1.759300       1.485300    
 N   -2.033300      0.4311000      0.6856000    
 N   0.7424000       1.319000       1.570600    
 C   -1.293700     -0.8067000      0.5897000    
 C   0.1129000     -0.8733000      0.6646000    
 C   0.9695000      0.3444000      0.7559000    
 C   -3.292100      0.4946000     -7.8100003E-02
 C   -1.627000       1.490200       1.516700    
 C  -0.4330000       1.224000       2.419900    
 C   -1.992500      -2.016200      0.4003000    
 C   0.7743000      -2.113800      0.6130000    
 C    2.152800      0.4659000     -0.1435000    
 C   -3.046800      0.8258000      -1.528600    
 C   -1.327600      -3.243200      0.3312000    
 C   5.4699998E-02  -3.292900      0.4468000    
 C    3.270200       1.177400      0.2777000    
 C    2.125400     -0.1358000      -1.396200    
 C    4.375700       1.288400     -0.5657000    
 C    3.231000     -2.4700001E-02  -2.239500    
 C    4.356000      0.6875000      -1.824300    
 H   -3.896100     -0.4070000      1.7700000E-02
 H   -3.945200       1.267700      0.3366000    
 H  -0.5175000      0.2576000       2.930800    
 H  -0.3518000       1.975900       3.212900    
 H   -3.073600      -2.077500      0.3598000    
 H    1.857400      -2.164300      0.7081000    
 H   -1.908600      -4.153200      0.2038000    
 H    1.254700     -0.6700000      -1.765200    
 H    5.251500       1.843200     -0.2423000    
 H    3.213100     -0.4862000      -3.222500    
 H    5.216100      0.7755000      -2.481600    


%chk=000004999-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004999

0 1
Cl 0.880026 -4.923006 0.453716
S -2.773639 2.819013 1.799589
F -3.758029 0.965077 -2.530737
F -1.832399 1.897106 -1.754548
F -1.921333 -0.324129 -2.176365
F 3.546681 1.268933 1.632710
N -2.081045 0.378538 0.740011
N 0.644956 1.349924 1.573329
C -1.339298 -0.867738 0.741010
C 0.085937 -0.888507 0.657522
C 0.903514 0.364604 0.741191
C -3.177746 0.522303 -0.232012
C -1.818308 1.421500 1.642113
C -0.546923 1.220436 2.460501
C -2.060832 -2.087864 0.759681
C 0.749304 -2.140978 0.558406
C 2.088045 0.488351 -0.161533
C -2.666286 0.770282 -1.652938
C -1.396971 -3.325645 0.679213
C 0.009124 -3.331859 0.570362
C 3.342082 0.981751 0.273911
C 1.970599 0.151488 -1.538504
C 4.434433 1.158884 -0.591517
C 3.048543 0.326788 -2.430493
C 4.281444 0.834800 -1.957563
H -3.829217 -0.364590 -0.260972
H -3.774550 1.404224 0.073115
H -0.580512 0.228066 2.964320
H -0.496358 2.010939 3.219965
H -3.151272 -2.078931 0.852711
H 1.839711 -2.165624 0.480010
H -1.958875 -4.263317 0.704055
H 1.011286 -0.226952 -1.908293
H 5.379022 1.538349 -0.191207
H 2.926160 0.075162 -3.488554
H 5.122627 0.974520 -2.644302


