%chk=000181835.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181835

0 1
Cl -4.034830 -2.020739 -1.585791
N 5.003707 0.376906 -0.075270
N 1.393765 0.215118 1.036561
N -1.202847 -2.438616 -1.032692
C 3.525694 0.520578 -0.257638
C 2.864531 0.050359 1.059512
C 5.763476 1.473885 -0.761079
C 5.472196 -0.979079 -0.521620
C 0.567537 -0.644483 0.310226
C -0.838819 -0.266982 0.122630
C -1.682136 -1.209539 -0.561126
C -2.739407 1.250121 0.363620
C -1.386011 0.938582 0.570869
C -3.592761 0.323149 -0.319455
C -3.040041 -0.889365 -0.766753
C 5.597617 2.787323 0.004440
C 6.819857 -1.301042 0.125140
C 1.002774 -1.863803 -0.179126
C -3.296518 2.498475 0.830404
C 0.073953 -2.729137 -0.835498
C -4.979117 0.676341 -0.515847
C -4.610649 2.794742 0.625708
C -5.465825 1.865661 -0.060442
H 3.123523 -0.052953 -1.119775
H 3.260177 1.582333 -0.449426
H 3.267028 0.637331 1.917509
H 3.123599 -1.011771 1.271585
H 6.841476 1.191743 -0.767192
H 5.464982 1.606464 -1.823241
H 4.724135 -1.735737 -0.195410
H 5.546530 -1.065886 -1.627362
H 1.068143 1.168709 1.185637
H -0.761327 1.659931 1.100110
H 4.575833 3.176583 -0.057977
H 5.825218 2.649064 1.070442
H 6.273270 3.555861 -0.385362
H 7.625954 -0.670069 -0.266346
H 6.784026 -1.133915 1.210632
H 7.098363 -2.346024 -0.045618
H 2.029106 -2.193553 -0.067104
H -2.636632 3.191431 1.350101
H 0.423497 -3.700667 -1.212016
H -5.631633 -0.027283 -1.035666
H -5.041657 3.732318 0.973663
H -6.510858 2.138332 -0.204859


%chk=000181835-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181835

0 1
Cl -4.145375 -2.191900 -1.562477
N 5.094988 0.402441 -0.112711
N 1.381472 0.429587 0.772249
N -1.213353 -2.410905 -1.122963
C 3.649619 0.652659 -0.324295
C 2.832274 0.263297 0.938629
C 5.975018 1.409922 -0.765280
C 5.483339 -1.001982 -0.422623
C 0.548720 -0.483879 0.150311
C -0.886657 -0.203476 0.033122
C -1.719078 -1.214339 -0.623243
C -2.868285 1.230459 0.390332
C -1.479840 0.979355 0.519290
C -3.722344 0.245655 -0.262814
C -3.110142 -0.942652 -0.744866
C 5.982199 2.764300 -0.031605
C 6.729506 -1.470848 0.352072
C 1.022014 -1.702279 -0.374562
C -3.462484 2.442483 0.890460
C 0.108795 -2.610706 -0.982876
C -5.129884 0.525555 -0.383400
C -4.826415 2.681483 0.757836
C -5.666081 1.710134 0.112968
H 3.248668 0.106745 -1.211247
H 3.491286 1.728282 -0.520832
H 3.168947 0.897114 1.777439
H 3.053877 -0.781458 1.226986
H 7.003642 1.006533 -0.763659
H 5.696410 1.560856 -1.838821
H 4.634420 -1.655984 -0.146022
H 5.641782 -1.145083 -1.521397
H 0.976553 1.301575 1.106442
H -0.885831 1.754071 1.020763
H 4.979034 3.228569 -0.011443
H 6.316851 2.629209 1.011618
H 6.665809 3.472801 -0.535415
H 7.623330 -0.873153 0.098013
H 6.558211 -1.379870 1.438724
H 6.956625 -2.526813 0.114460
H 2.080383 -1.969746 -0.331107
H -2.815125 3.179123 1.381589
H 0.491612 -3.558459 -1.382759
H -5.769910 -0.213131 -0.873632
H -5.266749 3.607612 1.142530
H -6.738932 1.907540 0.013310


