%chk=000183323.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183323

0 1
Cl 0.314714 -4.025808 -1.012456
N 3.595927 -0.520077 0.256473
N -0.707940 0.884462 -1.201206
N 1.425065 0.264084 -0.434971
N 2.005922 -2.123673 -0.362477
N -0.221267 -1.455451 -1.070958
C 4.204710 0.833718 0.533721
C 5.645877 0.557780 1.004441
C 4.217375 1.663256 -0.755756
C 3.409881 1.535425 1.641346
C -2.131330 0.623800 -1.574746
C -2.980300 0.644032 -0.313456
C 2.321746 -0.758645 -0.186432
C -2.558408 1.661664 -2.614044
C 0.169490 -0.125568 -0.887231
C -3.494064 1.834293 0.216901
C -3.228529 -0.571953 0.342111
C -4.263114 1.807053 1.384591
C -3.996489 -0.595469 1.508597
C -4.517153 0.593543 2.030487
C 0.747883 -2.373734 -0.793744
H 6.242798 0.045453 0.241303
H 6.161250 1.500020 1.227906
H 5.677479 -0.043383 1.920284
H 3.194607 1.881830 -1.100478
H 4.725228 1.143550 -1.575013
H 4.718960 2.623932 -0.605528
H 3.337234 0.924172 2.547079
H 3.868656 2.489816 1.916520
H 2.379649 1.752135 1.318381
H 4.184234 -1.345282 0.415501
H -2.192651 -0.401693 -2.047950
H -0.445759 1.841916 -0.967749
H -3.614474 1.521093 -2.881429
H -1.970117 1.563645 -3.536230
H -2.447827 2.694163 -2.264432
H -3.300549 2.784810 -0.276097
H -2.809044 -1.500175 -0.055706
H -4.663410 2.733881 1.791197
H -4.186904 -1.541687 2.012901
H -5.116557 0.573673 2.938649


%chk=000183323-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183323

0 1
Cl 0.406572 -4.074432 -1.271607
N 3.629133 -0.509478 0.158794
N -0.715166 0.848448 -1.066937
N 1.454866 0.254252 -0.441034
N 2.085501 -2.108425 -0.519921
N -0.162604 -1.447073 -1.136248
C 4.249658 0.804277 0.514033
C 5.703536 0.483000 0.939514
C 4.254293 1.744095 -0.720257
C 3.483396 1.456053 1.694966
C -2.123726 0.628095 -1.486551
C -3.061784 0.674814 -0.266381
C 2.358944 -0.756697 -0.273658
C -2.478492 1.621414 -2.609851
C 0.210148 -0.137805 -0.875261
C -3.806127 1.828170 0.085807
C -3.161328 -0.479424 0.554861
C -4.627156 1.831681 1.237462
C -3.980821 -0.478403 1.703887
C -4.716385 0.679730 2.050875
C 0.833792 -2.331707 -0.935661
H 6.266929 0.010602 0.112909
H 6.226281 1.413939 1.217139
H 5.723745 -0.192005 1.815748
H 3.222850 1.942707 -1.053402
H 4.816150 1.288227 -1.555373
H 4.735065 2.704086 -0.458489
H 3.499850 0.797227 2.581827
H 3.958434 2.416779 1.964526
H 2.434819 1.644674 1.413400
H 4.202246 -1.353036 0.242964
H -2.143307 -0.398052 -1.891655
H -0.419072 1.791258 -0.803583
H -3.522672 1.476200 -2.936987
H -1.813861 1.462016 -3.476089
H -2.366982 2.673840 -2.287207
H -3.759773 2.727722 -0.538650
H -2.589642 -1.375274 0.283994
H -5.199273 2.730048 1.496325
H -4.050191 -1.378717 2.324683
H -5.355047 0.681777 2.941389


