%chk=000183327.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183327

0 1
Cl -3.161659 3.378762 -0.907451
N -2.303312 -1.324141 0.607273
N 1.307848 1.805601 0.620256
N -0.441589 0.177587 0.589617
N -2.664052 0.932261 -0.102940
N -0.808528 2.502471 -0.130487
C -1.452610 -2.463113 1.113416
C -3.757424 -1.669490 0.372870
C -0.863034 -2.149657 2.488732
C -0.384318 -2.851202 0.090615
C -4.128606 -1.523853 -1.102416
C -4.671359 -0.856504 1.288916
C -1.795483 -0.069939 0.366630
C 2.341498 0.804479 1.012735
C 0.002922 1.462611 0.349592
C 3.052514 0.314705 -0.239936
C 3.280694 1.449792 2.034039
C 4.170816 0.972868 -0.766935
C 2.546077 -0.819338 -0.892770
C -2.105626 2.148938 -0.321513
C 4.786790 0.490334 -1.926247
C 3.161845 -1.298971 -2.050298
C 4.286052 -0.646149 -2.567811
H -2.162541 -3.334419 1.226666
H -3.849219 -2.758350 0.656051
H -0.377407 -3.031889 2.917618
H -0.105429 -1.353035 2.437110
H -1.631421 -1.809062 3.191707
H -0.814802 -3.017149 -0.902876
H 0.135017 -3.765659 0.394088
H 0.383967 -2.060879 -0.021203
H -5.124554 -1.933861 -1.298204
H -4.152423 -0.465656 -1.412512
H -3.414682 -2.031487 -1.758624
H -4.342730 -0.889687 2.332507
H -5.701042 -1.225130 1.242581
H -4.698910 0.206368 0.995624
H 1.823293 -0.068332 1.508541
H 1.627309 2.733505 0.336461
H 4.080407 0.752662 2.315790
H 2.740339 1.722593 2.950471
H 3.761141 2.361489 1.660179
H 4.566828 1.861963 -0.279597
H 1.650808 -1.321614 -0.497423
H 5.657159 1.004319 -2.330679
H 2.764348 -2.178973 -2.552909
H 4.766586 -1.019969 -3.469953


%chk=000183327-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183327

0 1
Cl -3.385862 3.087626 -1.416532
N -2.531195 -1.330801 0.895611
N 1.192610 1.314779 -0.341416
N -0.620141 -0.045268 0.315622
N -2.864880 0.753559 -0.184288
N -0.952474 2.098487 -0.819149
C -1.660560 -2.403053 1.500129
C -4.025397 -1.557251 0.922986
C -0.847449 -1.901049 2.716599
C -0.782761 -3.117588 0.445861
C -4.640271 -1.669272 -0.491773
C -4.765003 -0.531359 1.813528
C -1.990528 -0.200454 0.337940
C 2.218624 0.415516 0.232680
C -0.155961 1.098155 -0.265687
C 3.436325 0.372412 -0.703653
C 2.529542 0.803693 1.696411
C 4.763334 0.530528 -0.234642
C 3.230614 0.134625 -2.089586
C -2.261949 1.822721 -0.720555
C 5.858824 0.453820 -1.126483
C 4.321066 0.058148 -2.981365
C 5.643185 0.217316 -2.501884
H -2.382794 -3.149239 1.881722
H -4.132784 -2.547853 1.404520
H -0.342557 -2.758583 3.198772
H -0.087144 -1.170524 2.400607
H -1.509903 -1.426341 3.462793
H -1.402042 -3.513893 -0.378972
H -0.254384 -3.965867 0.918814
H -0.036987 -2.424385 0.027109
H -5.699382 -1.975056 -0.405517
H -4.592033 -0.701075 -1.012337
H -4.110481 -2.429596 -1.094195
H -4.331571 -0.504394 2.829958
H -5.828425 -0.821639 1.900204
H -4.707979 0.475111 1.371972
H 1.747611 -0.586479 0.247395
H 1.477725 2.199673 -0.766786
H 3.202415 0.066207 2.170088
H 1.589557 0.826480 2.273536
H 2.999866 1.801575 1.760556
H 4.952979 0.716794 0.827220
H 2.207479 0.015174 -2.465555
H 6.878614 0.580491 -0.745719
H 4.142198 -0.125233 -4.046782
H 6.491826 0.159165 -3.192457


