%chk=000208921.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208921

0 1
Cl 4.002231 -2.165578 1.381453
N -0.526167 0.273026 0.364658
N 2.315757 -0.130001 0.026162
N -6.345154 -0.399453 -0.279981
N -6.384224 0.364276 0.837863
C 0.057210 -0.115170 -0.961994
C 0.314549 -0.300398 1.468346
C 1.486910 0.452917 -1.077813
C 1.747091 0.258584 1.360730
C -1.948254 -0.186364 0.487863
C -2.857697 0.788970 -0.287997
C 3.731302 0.118233 -0.081184
C -4.284866 0.445187 -0.086327
C 4.615279 -0.813155 0.506798
C 4.288940 1.190772 -0.803862
C -5.086761 -0.386309 -0.883527
C -5.130508 0.892692 0.977487
C 5.999576 -0.683807 0.388152
C 5.673631 1.316563 -0.932359
C 6.530926 0.386510 -0.337015
C -7.537363 -1.124319 -0.738782
H -0.575063 0.322214 -1.763946
H 0.079374 -1.216325 -1.118657
H 0.346973 -1.412213 1.456065
H -0.124258 0.011538 2.440325
H 1.928615 0.149675 -2.051155
H 1.449383 1.564273 -1.049665
H 1.733928 1.362631 1.498843
H 2.374982 -0.169466 2.170359
H -2.109473 -1.225465 0.131355
H -2.240928 -0.173180 1.561225
H -2.600813 0.780811 -1.366753
H -2.654119 1.828665 0.051397
H 3.641111 1.935729 -1.262216
H -4.842571 -0.922435 -1.777756
H -4.871941 1.548779 1.790075
H 6.659337 -1.417940 0.852095
H 6.087618 2.151156 -1.497751
H 7.609255 0.491574 -0.437500
H -8.366280 -0.419014 -0.944311
H -7.322614 -1.693885 -1.657233
H -7.889025 -1.827699 0.041128


%chk=000208921-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208921

0 1
Cl 3.912683 -2.235424 1.480580
N -0.530664 0.333592 0.393730
N 2.337826 0.100927 0.061996
N -6.370760 -0.534980 -0.239824
N -6.485607 0.371934 0.809774
C 0.085191 0.208264 -0.949146
C 0.304742 -0.371072 1.401249
C 1.512725 0.786589 -0.954663
C 1.728075 0.204525 1.415076
C -1.943610 -0.114378 0.436900
C -2.905398 0.827042 -0.336634
C 3.747219 0.142317 -0.069484
C -4.353854 0.455888 -0.125224
C 4.609066 -0.818197 0.543390
C 4.393763 1.130720 -0.875777
C -5.113493 -0.504701 -0.820120
C -5.251138 0.961347 0.869549
C 6.007291 -0.782786 0.407933
C 5.792970 1.162744 -1.041839
C 6.612949 0.215471 -0.389958
C -7.544841 -1.306111 -0.648470
H -0.520279 0.768976 -1.683202
H 0.130019 -0.861535 -1.279312
H 0.364411 -1.469164 1.195731
H -0.153636 -0.230529 2.397791
H 1.962219 0.628050 -1.950870
H 1.452024 1.884185 -0.763615
H 1.681606 1.274564 1.721916
H 2.343212 -0.342132 2.144950
H -2.065033 -1.159108 0.048943
H -2.258377 -0.130723 1.497469
H -2.668077 0.805223 -1.416963
H -2.719607 1.859362 0.013213
H 3.780503 1.897969 -1.358241
H -4.852432 -1.142808 -1.662349
H -5.061808 1.723605 1.624700
H 6.613144 -1.549456 0.900404
H 6.242746 1.941255 -1.667961
H 7.701190 0.237169 -0.503831
H -8.148768 -0.753217 -1.390825
H -7.228776 -2.268185 -1.084258
H -8.163515 -1.494611 0.241867


