%chk=000208016.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208016

0 1
Cl 5.466505 -0.036283 0.156822
S -4.151935 -0.670436 0.212697
N -1.397462 -0.432687 0.218176
N -1.130506 1.497081 -0.921406
N -2.447574 1.260019 -0.837998
C -1.131934 -1.727493 0.877366
C -0.449433 0.486427 -0.302325
C 1.001468 0.357629 -0.177926
C -2.643316 0.090960 -0.160265
C -1.038396 -2.857354 -0.142227
C 1.608865 0.353642 1.088822
C 1.783017 0.264821 -1.342276
C 2.995764 0.231352 1.196288
C 3.170643 0.143585 -1.242085
C 3.754003 0.123137 0.027344
C -5.329098 0.679149 0.009974
H -0.180742 -1.645160 1.454921
H -1.944427 -1.928908 1.616978
H -1.965075 -2.966051 -0.723451
H -0.849438 -3.818228 0.352639
H -0.226199 -2.692882 -0.863223
H 1.001540 0.465090 1.987450
H 1.302734 0.300166 -2.322888
H 3.479460 0.229147 2.173266
H 3.787717 0.072450 -2.138469
H -6.341707 0.263645 0.087713
H -5.223864 1.167342 -0.972181
H -5.199910 1.454440 0.776265


%chk=000208016-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208016

0 1
Cl 5.676473 0.142482 -0.033073
S -4.173433 -0.624070 0.505467
N -1.372062 -0.413325 0.367519
N -1.062477 1.393559 -0.960487
N -2.463888 1.189873 -0.808662
C -1.169528 -1.716893 1.040722
C -0.424701 0.428076 -0.249462
C 1.040916 0.323261 -0.160593
C -2.610446 0.100885 -0.022246
C -1.308468 -2.902039 0.063417
C 1.720422 0.026372 1.052013
C 1.808445 0.596981 -1.326030
C 3.129898 -0.032501 1.096185
C 3.216740 0.548227 -1.293436
C 3.858074 0.222028 -0.081815
C -5.329154 0.647169 -0.271641
H -0.168932 -1.720201 1.498627
H -1.909534 -1.794283 1.858428
H -2.308259 -2.917797 -0.403750
H -1.166623 -3.853693 0.606021
H -0.548271 -2.842486 -0.734655
H 1.160734 -0.109899 1.983552
H 1.286933 0.856833 -2.251977
H 3.649906 -0.253760 2.032472
H 3.803171 0.757618 -2.192422
H -6.345565 0.310337 -0.017758
H -5.172173 0.663665 -1.358511
H -5.117500 1.638178 0.152097


