%chk=000278320.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278320

0 1
Cl 7.052778 4.581234 -2.506836
S -1.760369 -0.542346 -0.751601
O 6.148671 -1.708707 1.386756
N 4.524963 -0.871948 0.034937
N 3.173594 -0.892091 -0.283088
N 1.323095 -1.140487 -1.616696
N 2.015679 -0.093318 1.809647
N -0.407009 0.046522 1.504328
C 5.120500 0.507622 0.108457
C 5.325135 1.063519 -1.306246
C 6.030177 2.424364 -1.246682
C 2.074024 -0.517095 0.506137
C -3.175437 -0.099987 0.333775
C 0.921282 -0.686586 -0.350740
C 2.653491 -1.254119 -1.573662
C -0.334870 -0.377613 0.225268
C 5.024995 -1.873026 0.969614
C -4.118847 0.678745 -0.539171
C -3.709819 -1.376673 0.916095
C 6.226751 2.992712 -2.645443
C 4.158109 -3.053038 1.246249
C -4.731725 1.825206 -0.005319
C -3.170375 -1.831550 2.133474
C -4.394540 0.302739 -1.863024
C -4.719478 -2.123732 0.292787
C 0.759362 0.171456 2.238951
C -5.605430 2.584540 -0.786764
C -3.629394 -3.017672 2.707789
C -5.265216 1.071191 -2.642054
C -5.176473 -3.311285 0.873164
C -5.872243 2.211216 -2.107924
C -4.633490 -3.762174 2.078813
H 4.483545 1.184804 0.720849
H 6.101858 0.414727 0.639330
H 4.351188 1.160446 -1.826002
H 5.922006 0.347686 -1.907770
H 5.444956 3.136429 -0.627483
H 7.011763 2.328201 -0.735782
H -2.801718 0.562690 1.166090
H 3.306439 -1.578460 -2.375337
H 6.862992 2.345747 -3.277460
H 5.268149 3.165735 -3.168980
H 3.763198 -3.527301 0.335990
H 4.723520 -3.823779 1.797719
H 3.292371 -2.779928 1.874418
H -4.529496 2.124887 1.022236
H -2.386360 -1.257837 2.630669
H -3.940860 -0.586734 -2.302267
H -5.161898 -1.785184 -0.643149
H 0.640610 0.522446 3.278004
H -6.078083 3.470656 -0.365312
H -3.204997 -3.363675 3.648768
H -5.469294 0.777814 -3.671086
H -5.960274 -3.884818 0.380794
H -6.549529 2.806335 -2.717416
H -4.990170 -4.686706 2.527785


%chk=000278320-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000278320

0 1
Cl 6.337300 4.358791 -4.129704
S -1.646878 -1.775802 -0.331682
O 6.483436 -0.500213 1.623302
N 4.546930 -0.248369 0.380156
N 3.264808 -0.711569 0.063119
N 1.607323 -1.816199 -1.073594
N 1.892710 0.400945 1.814768
N -0.487474 -0.132546 1.571978
C 4.924292 1.097321 -0.120719
C 5.223127 1.124431 -1.634608
C 5.594828 2.557747 -2.092750
C 2.067659 -0.392094 0.726642
C -3.153237 -0.956721 0.602477
C 1.053172 -1.089423 0.001664
C 2.921047 -1.564616 -1.008343
C -0.275724 -0.925724 0.480343
C 5.344831 -0.947958 1.320929
C -3.563904 0.328339 -0.093151
C -4.223329 -2.031294 0.775784
C 5.894092 2.598562 -3.591536
C 4.748638 -2.216980 1.910818
C -3.701310 1.509935 0.678190
C -3.944569 -3.143341 1.616886
C -3.840564 0.384319 -1.484311
C -5.500905 -1.942169 0.169552
C 0.577929 0.479618 2.176613
C -4.121656 2.718931 0.078040
C -4.912914 -4.142673 1.839460
C -4.255480 1.591237 -2.086589
C -6.473855 -2.944498 0.392759
C -4.402115 2.763023 -1.306296
C -6.184861 -4.048316 1.224282
H 4.110027 1.803452 0.130696
H 5.822228 1.380757 0.454243
H 4.337222 0.772652 -2.201448
H 6.054677 0.426134 -1.851836
H 4.764019 3.253077 -1.866302
H 6.479030 2.914466 -1.531570
H -2.699962 -0.712185 1.579747
H 3.680096 -1.957267 -1.681861
H 6.766294 1.985348 -3.865991
H 5.022968 2.321069 -4.205164
H 4.437418 -2.936880 1.134048
H 5.512060 -2.682309 2.550328
H 3.862005 -1.980051 2.525984
H -3.472264 1.481720 1.749790
H -2.957382 -3.224649 2.087829
H -3.704874 -0.513728 -2.098157
H -5.745622 -1.082078 -0.461043
H 0.348242 1.100540 3.046809
H -4.222003 3.623573 0.688123
H -4.679776 -4.992962 2.490125
H -4.460123 1.620447 -3.162718
H -7.457876 -2.858264 -0.081680
H -4.722557 3.700377 -1.774657
H -6.939387 -4.824131 1.395828


