%chk=000209407.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209407

0 1
Cl -0.053597 -5.462130 0.693027
S -2.937651 -1.129061 -0.703653
N -0.232776 0.323375 -0.380791
N 3.931094 1.647042 -0.320363
N 0.967561 -1.658480 0.170821
C 1.093955 1.006852 -0.511613
C 1.730649 1.332964 0.847260
C 2.974933 2.220336 0.685785
C -1.406972 1.120170 -0.200473
C -0.241919 -1.063764 -0.118903
C -2.694683 0.553955 -0.291731
C -1.433207 -1.837475 -0.186593
C -1.305424 2.506633 0.045943
C -3.842736 1.326942 -0.121814
C 4.487635 0.338518 0.134443
C 5.040077 2.616416 -0.575657
C -1.398923 -3.200295 0.078265
C -2.457664 3.280085 0.192444
C -3.726986 2.699285 0.115785
C -0.159533 -3.784568 0.369897
C 0.999470 -2.993831 0.392860
H 0.960290 1.922710 -1.127958
H 1.775992 0.343172 -1.100590
H 1.998497 0.386433 1.363606
H 1.006038 1.837752 1.514014
H 3.438523 2.378884 1.683955
H 2.666873 3.223555 0.315330
H -0.332734 2.990480 0.121580
H -4.831864 0.867184 -0.178542
H 3.659725 -0.386938 0.237809
H 5.037408 0.373007 1.085130
H 5.160405 -0.055398 -0.643258
H 5.701975 2.201890 -1.353442
H 5.654906 2.861744 0.302134
H 4.618444 3.550139 -0.979637
H -2.306351 -3.810171 0.052962
H -2.362259 4.351164 0.374481
H -4.618883 3.309156 0.239782
H 1.986616 -3.426533 0.603406


%chk=000209407-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000209407

0 1
Cl 0.192192 -5.509318 0.693284
S -2.973932 -1.178101 -0.842187
N -0.269299 0.389284 -0.354668
N 3.976656 1.548491 -0.274022
N 1.003502 -1.549333 0.118327
C 1.033938 1.097773 -0.493292
C 1.714183 1.443468 0.851447
C 3.028419 2.226006 0.642830
C -1.466564 1.152071 -0.190661
C -0.222146 -1.005834 -0.149524
C -2.761456 0.568784 -0.309991
C -1.385939 -1.834191 -0.226789
C -1.407744 2.545494 0.096037
C -3.931575 1.329033 -0.121472
C 4.425227 0.229168 0.220043
C 5.111576 2.422996 -0.629704
C -1.276529 -3.204772 0.060881
C -2.580369 3.315540 0.247605
C -3.851665 2.713966 0.148871
C 0.002334 -3.734584 0.343793
C 1.122945 -2.889834 0.336007
H 0.863911 2.007928 -1.095950
H 1.711485 0.449592 -1.068299
H 1.900710 0.503653 1.398942
H 1.046756 2.054882 1.488492
H 3.491657 2.417853 1.647607
H 2.799275 3.218215 0.203534
H -0.440226 3.038308 0.207311
H -4.907285 0.838225 -0.205436
H 3.562477 -0.450210 0.328794
H 4.957046 0.288566 1.204415
H 5.117369 -0.217934 -0.515878
H 5.750189 1.917793 -1.376327
H 5.756212 2.695616 0.245661
H 4.735640 3.359747 -1.079649
H -2.158037 -3.851373 0.033195
H -2.490987 4.387007 0.456243
H -4.765140 3.302780 0.276302
H 2.132102 -3.275556 0.509928


