%chk=000198217.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198217

0 1
Cl 0.646242 5.411252 -0.118227
O 1.276920 -1.136520 -0.081141
O -0.339519 1.066235 -2.331012
N 4.804331 -1.257433 0.885925
C -0.984881 -1.471226 -0.423898
C 0.007909 -0.572921 0.348819
C -0.852262 -1.304229 -1.944664
C 0.011027 0.922730 0.136526
C -2.418789 -1.357660 0.042613
C -1.353677 0.031526 -2.458185
C -0.092745 1.601276 -1.090407
C 2.440027 -0.675596 0.653319
C 0.261602 1.703601 1.286270
C -3.238995 -2.495596 -0.068721
C -2.961968 -0.176587 0.564163
C 0.113169 3.000135 -1.182349
C 3.557752 -1.587741 0.123684
C 0.446498 3.081338 1.227852
C 0.387907 3.706305 -0.024284
C -4.573614 -2.448909 0.336865
C -4.299589 -0.133858 0.972340
C -5.108787 -1.266682 0.860419
C 5.705118 -2.445808 0.965080
C 5.521306 -0.105197 0.262276
H -0.634566 -2.522848 -0.194991
H -0.104599 -0.790380 1.442063
H -1.385019 -2.127540 -2.459044
H 0.227143 -1.413637 -2.210065
H -1.489942 0.035956 -3.558171
H -2.277389 0.376850 -1.962686
H 2.276197 -0.804446 1.735753
H 2.610984 0.388334 0.419584
H 0.323867 1.208487 2.259171
H -2.833357 -3.421373 -0.473084
H -2.352265 0.721666 0.657332
H 0.050122 3.482963 -2.157804
H 3.651402 -1.470643 -0.976619
H 3.266588 -2.647044 0.294257
H 0.640107 3.660110 2.128690
H -5.199498 -3.335422 0.246905
H -4.709396 0.790033 1.378475
H -6.148473 -1.231380 1.178349
H 6.045119 -2.836806 -0.004663
H 6.593737 -2.181143 1.560896
H 5.185560 -3.253397 1.505693
H 4.847257 0.765743 0.226274
H 5.898336 -0.288391 -0.754464
H 6.373506 0.171871 0.903388


%chk=000198217-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198217

0 1
Cl 0.725714 5.477205 -0.021994
O 1.285570 -1.242276 -0.115529
O -0.126978 0.969096 -2.345697
N 4.905713 -1.229460 0.824793
C -1.060948 -1.507339 -0.414506
C -0.004565 -0.650674 0.328871
C -0.930689 -1.393645 -1.960431
C 0.020535 0.869565 0.161870
C -2.507150 -1.337323 0.062470
C -1.231019 -0.008359 -2.535956
C 0.029675 1.564561 -1.086147
C 2.454597 -0.806202 0.663756
C 0.205078 1.646721 1.336861
C -3.366804 -2.467056 -0.017687
C -3.054570 -0.119837 0.546181
C 0.252854 2.964232 -1.134266
C 3.642213 -1.645586 0.169391
C 0.412332 3.041411 1.315182
C 0.445977 3.675794 0.058571
C -4.723044 -2.389191 0.363620
C -4.412320 -0.038739 0.935699
C -5.254144 -1.168905 0.843848
C 5.905819 -2.315118 0.876906
C 5.475635 0.008047 0.251314
H -0.762688 -2.547131 -0.171549
H -0.117962 -0.851767 1.418274
H -1.632963 -2.113256 -2.426059
H 0.093885 -1.686588 -2.251947
H -1.325912 -0.061229 -3.632936
H -2.162534 0.417449 -2.114514
H 2.286556 -0.985358 1.747137
H 2.634872 0.276819 0.514367
H 0.201455 1.132605 2.306029
H -2.961667 -3.421895 -0.377679
H -2.425655 0.771345 0.629395
H 0.255040 3.458809 -2.108805
H 3.693373 -1.574996 -0.945464
H 3.446645 -2.704307 0.417956
H 0.555660 3.608819 2.238026
H -5.361654 -3.277163 0.293822
H -4.810557 0.911545 1.309641
H -6.305594 -1.103061 1.144976
H 6.261991 -2.644156 -0.132794
H 6.787338 -1.977133 1.451440
H 5.479107 -3.193289 1.393011
H 4.736301 0.826159 0.284172
H 5.804644 -0.115438 -0.812277
H 6.351241 0.322292 0.847165


