%chk=000199328.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199328

1 1
Cl -1.187739 -2.128968 -1.360437
Cl -6.063560 0.138903 -1.285354
O 1.048999 3.355109 1.120030
O -0.732661 -0.657637 1.018369
N 2.382398 -0.664464 -0.207386
C 0.815194 1.212379 0.831387
C 1.350857 0.458766 -0.390014
C 2.589021 -1.285816 -1.605178
C 3.710082 -0.090501 0.298317
C 1.784005 2.172427 1.582692
C 0.085332 2.527134 0.383034
C 3.712484 -2.324264 -1.622758
C 4.838855 -1.126112 0.285666
C 1.881234 -1.731674 0.734862
C -0.032688 0.355456 1.777280
C 5.027421 -1.742684 -1.101393
C -1.993728 -0.355213 0.520432
C -2.334740 -1.067939 -0.644040
C -2.907368 0.516566 1.122583
C -3.602369 -0.931619 -1.207807
C -4.174833 0.666444 0.555284
C -4.508516 -0.053900 -0.599572
H 1.788002 1.202700 -1.102487
H 0.451623 0.012108 -0.901566
H 2.824584 -0.469637 -2.327707
H 1.629198 -1.749066 -1.937384
H 3.569101 0.302128 1.330725
H 3.992213 0.775596 -0.346904
H 1.754146 2.140038 2.679954
H 2.814778 2.239482 1.220895
H 0.120373 2.789705 -0.680061
H -0.921535 2.689150 0.787828
H 3.844611 -2.690053 -2.666668
H 3.430764 -3.227600 -1.042004
H 4.662402 -1.918865 1.041180
H 5.781597 -0.630053 0.610935
H 2.505592 -2.643512 0.687978
H 1.874492 -1.386993 1.784495
H 0.834931 -2.031874 0.490594
H -0.731427 0.963070 2.384478
H 0.583653 -0.256797 2.467397
H 5.803427 -2.537696 -1.060166
H 5.428749 -0.990096 -1.810886
H -2.650793 1.053936 2.035865
H -3.882195 -1.496599 -2.103259
H -4.907963 1.337332 1.014769


%chk=000199328-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000199328

1 1
Cl -1.569933 -1.578155 -1.846697
Cl -6.655355 0.239210 -0.552344
O 0.761248 3.393978 0.857021
O -0.841830 -0.556141 0.854718
N 2.504714 -0.763808 -0.284201
C 0.865736 1.216225 0.548586
C 1.500502 0.386481 -0.585434
C 2.997769 -1.267403 -1.674909
C 3.716537 -0.228105 0.509541
C 1.717871 2.314049 1.278908
C 0.076442 2.430193 -0.077400
C 4.153691 -2.276451 -1.589807
C 4.845464 -1.262823 0.635685
C 1.828336 -1.920588 0.453578
C -0.016573 0.441308 1.553866
C 5.333439 -1.734239 -0.752291
C -2.195209 -0.281515 0.561606
C -2.700515 -0.754643 -0.673206
C -3.086026 0.344242 1.464783
C -4.052732 -0.610767 -1.027155
C -4.445532 0.513643 1.126246
C -4.913008 0.034612 -0.114273
H 2.054558 1.078026 -1.245860
H 0.688350 -0.085435 -1.167625
H 3.321279 -0.364427 -2.222913
H 2.112741 -1.690287 -2.180682
H 3.339865 0.091878 1.495213
H 4.072755 0.661267 -0.041485
H 1.778140 2.244321 2.380599
H 2.725545 2.487833 0.856805
H 0.322000 2.655343 -1.132377
H -1.016868 2.433692 0.064128
H 4.477267 -2.476670 -2.627903
H 3.809160 -3.248528 -1.191015
H 4.520263 -2.123845 1.248945
H 5.670521 -0.782397 1.192751
H 2.406705 -2.840511 0.300591
H 1.791913 -1.696573 1.528197
H 0.803778 -2.034898 0.072170
H -0.632287 1.164316 2.119247
H 0.589757 -0.123953 2.283241
H 6.104899 -2.514652 -0.638268
H 5.813161 -0.888211 -1.283599
H -2.735932 0.680361 2.445963
H -4.422631 -0.984107 -1.985302
H -5.131970 0.996950 1.826357


