%chk=000215305.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215305

0 1
Cl 6.152769 0.888577 0.015765
O -2.105318 0.987578 -0.943920
O 0.631187 -2.914214 0.521723
N -0.288401 -0.899646 -0.137967
N 0.232608 2.363510 0.316165
N -0.897797 4.234866 -0.302008
N 1.049291 3.444090 0.176553
N 0.347597 4.561925 -0.190203
C -1.668611 -1.240133 -0.115269
C -2.604243 -0.231863 -0.473122
C -3.536746 -2.756951 0.242801
C -2.155543 -2.505503 0.237125
C -3.976722 -0.478357 -0.472049
C -4.442971 -1.743557 -0.110718
C 0.777678 -1.749330 0.210392
C -4.028611 -4.114915 0.621615
C 2.112391 -1.063737 0.150641
C -2.299696 2.103968 -0.029004
C 3.081402 -1.539776 -0.743237
C 2.395939 0.003768 1.013198
C -1.007657 2.845224 0.009546
C 4.339700 -0.933658 -0.791927
C 3.654055 0.610715 0.978811
C 4.603309 0.132662 0.071370
H -1.452262 -3.302206 0.508736
H -4.668088 0.310510 -0.764162
H -5.512314 -1.943004 -0.110785
H -0.084523 0.066297 -0.442954
H -3.608210 -4.442257 1.584356
H -5.120975 -4.166570 0.711522
H -3.729038 -4.864333 -0.127471
H -2.602108 1.759615 0.978522
H -3.101797 2.723755 -0.485172
H 2.854735 -2.386468 -1.395912
H 1.635698 0.361604 1.712114
H 5.102302 -1.290790 -1.484885
H 3.897444 1.425833 1.658367
H 2.056826 3.395569 0.320944


%chk=000215305-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215305

0 1
Cl 6.618589 0.320075 0.026153
O -1.690193 0.997026 -0.168281
O 0.774404 -3.235489 -0.004191
N -0.151238 -1.084022 -0.076628
N -0.066116 3.196460 0.356974
N -1.764531 4.673091 -0.126878
N 0.358432 4.497376 0.268038
N -0.636419 5.419379 -0.018211
C -1.536633 -1.368680 -0.017756
C -2.393963 -0.225390 -0.042633
C -3.521393 -2.810925 0.161947
C -2.111811 -2.655039 0.079100
C -3.787242 -0.362606 0.042393
C -4.345011 -1.661463 0.146551
C 0.916101 -1.971313 -0.029501
C -4.121538 -4.202866 0.262376
C 2.285898 -1.334798 -0.016005
C -2.410440 2.235866 0.089842
C 3.390545 -2.197778 -0.234978
C 2.527381 0.044785 0.228134
C -1.402537 3.345202 0.103325
C 4.711160 -1.706880 -0.228058
C 3.845517 0.550095 0.241754
C 4.917360 -0.333516 0.009023
H -1.446780 -3.521664 0.093989
H -4.445157 0.512111 0.022588
H -5.433044 -1.772297 0.212063
H 0.047067 -0.081902 -0.156136
H -3.706066 -4.757976 1.123690
H -5.217955 -4.163112 0.381122
H -3.901275 -4.799889 -0.642571
H -2.937952 2.174876 1.064602
H -3.161410 2.440294 -0.698068
H 3.185985 -3.260013 -0.401887
H 1.713776 0.750224 0.436664
H 5.560000 -2.374194 -0.400869
H 4.036367 1.608930 0.437922
H 1.333425 4.768820 0.393903


