%chk=000215012.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215012

0 1
Cl -8.753705 -2.070833 0.522032
S 0.473700 -0.705145 1.150501
S -2.248170 -0.559738 0.417742
N -0.588434 1.254806 -0.561596
N 2.222764 3.642882 -0.078278
C 5.258671 -2.673638 0.584564
C 4.379157 -1.478665 0.193419
C 6.678465 -2.530551 0.020452
C 2.958331 -1.624828 0.761660
C 7.560377 -3.725244 0.410340
C 2.095644 -0.434276 0.361275
C 8.974970 -3.588383 -0.148084
C -0.683623 0.223688 0.178462
C -3.453124 0.608590 -0.295709
C -4.769375 -0.060174 -0.090822
C -5.500867 0.168069 1.087683
C -5.283081 -0.922721 -1.074743
C 0.566276 2.034527 -0.824543
C -6.736378 -0.452780 1.283092
C -6.517526 -1.548916 -0.889911
C -7.226073 -1.302264 0.288292
C 1.021220 2.157454 -2.151358
C 1.193936 2.805199 0.187365
C 2.081179 3.022944 -2.419207
C 2.658491 3.745449 -1.360386
H 4.802147 -3.614311 0.219908
H 5.300324 -2.766909 1.687299
H 4.837993 -0.539035 0.558897
H 4.338596 -1.387108 -0.909248
H 6.640705 -2.437414 -1.081916
H 7.137968 -1.591689 0.385315
H 3.011085 -1.718747 1.866564
H 2.507914 -2.572773 0.399536
H 7.103879 -4.665863 0.044593
H 7.601922 -3.818556 1.513354
H 2.529849 0.520800 0.716797
H 1.993510 -0.359863 -0.737062
H 9.597081 -4.444686 0.135879
H 8.974033 -3.532794 -1.242569
H 9.471158 -2.685231 0.225175
H -3.220860 0.799243 -1.363778
H -3.381914 1.595042 0.205037
H -5.103462 0.829913 1.858007
H -4.716094 -1.109657 -1.987262
H -7.307340 -0.279205 2.195255
H -6.920154 -2.218710 -1.649693
H 0.543700 1.589216 -2.949812
H 0.856795 2.756983 1.230093
H 2.454905 3.141816 -3.434474
H 3.494137 4.433885 -1.529235


%chk=000215012-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215012

0 1
Cl -9.150139 -1.752394 0.214239
S 0.623849 -0.498508 1.597410
S -2.219210 -0.719348 0.700968
N -0.533434 1.032343 -0.542425
N 2.012596 3.720556 0.016806
C 5.456930 -2.684300 0.667443
C 4.511256 -1.534536 0.250141
C 6.812017 -2.657538 -0.074431
C 3.156807 -1.578017 0.999468
C 7.763157 -3.798948 0.353095
C 2.244723 -0.411592 0.586157
C 9.113966 -3.769493 -0.393721
C -0.640244 0.148142 0.392072
C -3.417923 0.423339 -0.282024
C -4.821796 -0.110243 -0.159528
C -5.664339 0.304217 0.904848
C -5.327453 -1.041242 -1.103907
C 0.473414 1.982699 -0.789211
C -6.981675 -0.189049 1.027143
C -6.641972 -1.546139 -0.998856
C -7.449545 -1.109551 0.069248
C 0.826883 2.290296 -2.131808
C 1.090897 2.746650 0.249004
C 1.787356 3.292118 -2.376678
C 2.362612 3.976412 -1.279601
H 4.956464 -3.657640 0.482385
H 5.636970 -2.629733 1.761395
H 5.010062 -0.561987 0.441619
H 4.331969 -1.585509 -0.843861
H 6.635174 -2.720793 -1.168713
H 7.310181 -1.681428 0.103695
H 3.344070 -1.539709 2.091385
H 2.645330 -2.538690 0.796732
H 7.263619 -4.773925 0.178623
H 7.941719 -3.733065 1.445851
H 2.713032 0.566741 0.782703
H 1.963698 -0.469868 -0.478716
H 9.775424 -4.593232 -0.067878
H 8.966010 -3.867258 -1.485946
H 9.646543 -2.816687 -0.212373
H -3.040932 0.429734 -1.315547
H -3.299584 1.429418 0.148921
H -5.289631 1.017836 1.647508
H -4.689740 -1.377300 -1.929440
H -7.628658 0.135239 1.847152
H -7.029008 -2.260723 -1.730813
H 0.345574 1.743640 -2.948803
H 0.812179 2.577173 1.295781
H 2.084081 3.545525 -3.399623
H 3.117420 4.756165 -1.428986


