%chk=000189973.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189973

0 1
Cl 0.005685 2.690380 2.497561
N -0.002674 -1.623431 -0.032126
C 0.002050 1.197724 -0.129219
C 1.219987 0.491195 -0.103221
C -1.218247 0.495280 -0.103125
C 1.173378 -0.940500 -0.053445
C -1.176432 -0.936563 -0.053356
C 2.422468 -1.706524 -0.027787
C -2.428081 -1.698397 -0.027604
C 0.004513 2.677850 -0.203016
C 3.653473 -1.011038 -0.049545
C -3.656749 -0.998789 -0.049248
C 2.510514 1.150967 -0.120001
C -2.506556 1.159374 -0.119768
C 3.662459 0.440107 -0.094990
C -3.660876 0.452379 -0.094665
C 2.424645 -3.122146 0.019170
C -2.434999 -3.114004 0.019334
C 4.866878 -1.742117 -0.025059
C -4.872597 -1.725797 -0.024671
C 0.006332 3.462115 0.959824
C 0.005062 3.323742 -1.449161
C 3.620324 -3.820195 0.042548
C -3.633008 -3.808042 0.042803
C 4.848348 -3.125777 0.020234
C -4.858700 -3.109512 0.020602
C 0.008648 4.858059 0.903299
C 0.007378 4.719246 -1.517774
C 0.009164 5.484665 -0.345929
H 2.520227 2.242084 -0.148738
H -2.512615 2.250518 -0.148476
H 4.632513 0.937202 -0.105643
H -4.629259 0.952722 -0.105218
H 1.468923 -3.653127 0.037132
H -1.481060 -3.648185 0.037208
H 5.813284 -1.204551 -0.041362
H -5.817196 -1.185061 -0.040889
H 0.003678 2.727890 -2.363135
H 3.620997 -4.908188 0.078856
H -3.637326 -4.896027 0.079096
H 5.780841 -3.688558 0.039505
H -5.793072 -3.669165 0.039945
H 0.010022 5.446164 1.821312
H 0.007791 5.213220 -2.489108
H 0.010964 6.572906 -0.405352


%chk=000189973-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189973

0 1
Cl 0.006068 2.781328 2.626079
N -0.002689 -1.641692 -0.030094
C 0.002066 1.215901 -0.108032
C 1.231075 0.494580 -0.088891
C -1.229336 0.498676 -0.088863
C 1.176445 -0.955044 -0.048317
C -1.179533 -0.951138 -0.048262
C 2.424264 -1.722335 -0.028837
C -2.429916 -1.714248 -0.028679
C 0.004534 2.714693 -0.180168
C 3.682283 -1.024818 -0.046511
C -3.685582 -1.012493 -0.046299
C 2.520997 1.152463 -0.103123
C -2.517037 1.160881 -0.103048
C 3.693320 0.422979 -0.082909
C -3.691787 0.435328 -0.082747
C 2.419602 -3.146511 0.008457
C -2.430041 -3.138432 0.008678
C 4.896687 -1.775517 -0.026580
C -4.902508 -1.759088 -0.026256
C 0.006568 3.542199 0.968694
C 0.004967 3.362806 -1.444813
C 3.624185 -3.865297 0.027530
C -3.637042 -3.853150 0.027861
C 4.871726 -3.176920 0.009951
C -4.882255 -3.160567 0.010334
C 0.008948 4.949372 0.888262
C 0.007333 4.770527 -1.552153
C 0.009328 5.565753 -0.382941
H 2.551550 2.246422 -0.127557
H -2.543893 2.254933 -0.127507
H 4.662178 0.936646 -0.091655
H -4.658928 0.952221 -0.091448
H 1.451183 -3.653957 0.022462
H -1.463329 -3.649127 0.022644
H 5.852889 -1.238842 -0.039522
H -5.856898 -1.219192 -0.039152
H 0.003430 2.740250 -2.346234
H 3.608190 -4.960365 0.056645
H -3.624743 -4.948265 0.057026
H 5.808862 -3.744352 0.025567
H -5.821291 -3.724847 0.026042
H 0.010458 5.547842 1.804064
H 0.007615 5.241848 -2.540360
H 0.011158 6.658645 -0.452540


