%chk=000220762.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220762

0 1
Cl 7.813690 -0.025082 1.027871
N -2.586519 0.087593 -1.014148
N -6.855213 0.112200 -0.439076
N 2.074376 0.461364 -0.402299
N 1.659878 1.457636 -1.273243
N -1.505672 -1.427720 0.472121
N 0.909276 -1.381331 0.859989
C -4.556445 0.199101 0.515240
C -3.930940 -0.469345 -0.718972
C -5.999389 -0.287391 0.728205
C -0.181097 0.263581 -0.649036
C -1.444343 -0.349253 -0.392098
C 0.967860 -0.304236 0.009622
C 0.328542 1.355442 -1.432149
C 3.464487 0.335359 -0.050269
C -7.233517 1.554734 -0.359926
C -8.082270 -0.737747 -0.501430
C -0.343592 -1.880126 1.034876
C 3.883482 -0.691687 0.814574
C 4.395199 1.252251 -0.582936
C 5.234848 -0.800728 1.147400
C 5.742969 1.138318 -0.247414
C 6.145351 0.113236 0.613831
H -4.533674 1.300551 0.412537
H -3.953118 -0.039968 1.415343
H -4.575059 -0.310630 -1.616313
H -3.853122 -1.571282 -0.561099
H -6.379246 0.097207 1.699084
H -6.002290 -1.397159 0.811389
H -2.552266 0.941517 -1.561547
H -0.231755 2.021391 -2.069830
H -6.319200 2.168341 -0.330459
H -7.856445 1.823700 0.505687
H -7.779647 1.829961 -1.276580
H -8.733665 -0.680050 0.382517
H -7.784484 -1.788555 -0.647736
H -8.674833 -0.447591 -1.384247
H -0.442282 -2.747453 1.711309
H 3.168879 -1.410258 1.233964
H 4.065671 2.048939 -1.256161
H 5.571241 -1.593411 1.817423
H 6.472837 1.840481 -0.652414


%chk=000220762-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220762

0 1
Cl 7.927657 -0.200994 1.088036
N -2.584359 0.274513 -1.009527
N -6.923383 0.002361 -0.391907
N 2.097887 0.488631 -0.404670
N 1.754975 1.524489 -1.298544
N -1.533751 -1.274916 0.424209
N 0.888624 -1.298326 0.835653
C -4.579361 0.234776 0.533329
C -3.921960 -0.297394 -0.760683
C -5.999355 -0.338450 0.720963
C -0.147308 0.378528 -0.684547
C -1.437920 -0.199327 -0.428473
C 0.963761 -0.225368 -0.014335
C 0.411889 1.447438 -1.458040
C 3.472145 0.313407 -0.041794
C -7.292549 1.432931 -0.416607
C -8.120682 -0.864695 -0.402494
C -0.385560 -1.753516 0.990966
C 3.853810 -0.713803 0.858142
C 4.444605 1.182430 -0.596660
C 5.213694 -0.868153 1.200654
C 5.802039 1.025270 -0.252373
C 6.169089 0.001358 0.642503
H -4.601022 1.341639 0.518020
H -3.958177 -0.064681 1.397833
H -4.571104 -0.070668 -1.624309
H -3.815458 -1.393544 -0.686999
H -6.404178 0.002923 1.709075
H -5.930283 -1.442775 0.769299
H -2.509254 1.089520 -1.618069
H -0.073888 2.163929 -2.119248
H -6.393715 2.064286 -0.524549
H -7.833418 1.761079 0.508016
H -7.947463 1.629712 -1.284127
H -8.762433 -0.747001 0.507607
H -7.814381 -1.923669 -0.470177
H -8.740649 -0.631215 -1.286782
H -0.510381 -2.612612 1.657385
H 3.091976 -1.376223 1.276479
H 4.129560 1.966878 -1.287566
H 5.518936 -1.657307 1.893552
H 6.559847 1.690441 -0.675641


