%chk=000291950.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291950

0 1
Cl 3.524167 3.532643 -1.538328
Cl 7.132495 1.235702 1.705811
O -4.086754 2.954467 1.721851
N -0.917939 2.606386 0.124039
N -3.679050 -2.213539 -0.358478
N -1.293125 -2.275262 -0.276721
N -0.083118 -4.292318 -0.933806
N 1.108711 -2.419043 -0.136214
N 2.639387 -0.987096 0.836464
N 0.435699 -0.122507 0.426026
C -2.325414 2.597755 -0.405177
C -3.104578 1.449034 0.182651
C -0.882923 3.203859 1.503713
C -0.016215 3.357404 -0.816880
C -2.985415 0.157571 -0.327659
C -4.019201 1.661552 1.240243
C 0.457933 2.915283 2.178630
C 0.296247 2.501610 -2.044154
C -3.762618 -0.893345 0.201257
C -4.808370 0.632818 1.764375
C -4.675998 -0.655730 1.242367
C -2.477134 -2.909445 -0.549724
C -2.508028 -4.239915 -1.030061
C -1.274870 -4.889187 -1.217252
C -0.117721 -2.996331 -0.458644
C -1.213014 -6.286572 -1.736312
C 3.480030 0.110031 0.520526
C 1.301430 -1.178717 0.328504
C 4.750115 0.127027 1.151123
C 3.103518 1.167740 -0.329192
C 3.990606 2.228684 -0.504641
C 5.591279 1.211131 0.932028
C 5.240045 2.288051 0.111028
H -2.292798 2.482491 -1.514806
H -2.863505 3.555801 -0.208627
H -1.705984 2.740655 2.097455
H -1.081403 4.297568 1.502475
H 0.934820 3.591069 -0.284711
H -0.443152 4.334710 -1.129955
H -2.282675 -0.044766 -1.141645
H 0.711433 1.845693 2.131082
H 1.283380 3.466698 1.711507
H 0.429246 3.196675 3.237601
H 0.920873 3.052885 -2.756683
H 0.844672 1.587421 -1.760732
H -0.610615 2.180153 -2.569523
H -5.509726 0.824198 2.571787
H -5.275402 -1.465923 1.653830
H -4.540170 -2.758283 -0.370938
H -4.773400 3.044963 2.426222
H -3.435341 -4.744806 -1.258126
H -1.740474 -6.983409 -1.070072
H -1.668700 -6.361681 -2.733627
H -0.171742 -6.644563 -1.824975
H 3.130378 -1.883576 1.014896
H 5.059754 -0.689246 1.804016
H 2.149923 1.162771 -0.875015
H 5.915726 3.127994 -0.044312
H 0.673930 0.774150 0.853420
H -0.554525 -0.233685 0.178763


%chk=000291950-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291950

0 1
Cl 3.634548 3.571065 2.280592
Cl 6.995816 1.651504 -1.687837
O -4.358770 3.333951 0.304234
N -0.694738 2.475415 0.183720
N -3.590492 -2.273380 -0.041876
N -1.209550 -2.422569 -0.026246
N -0.083020 -4.569559 -0.336842
N 1.187725 -2.611871 -0.193184
N 2.720512 -0.940194 -0.311830
N 0.460141 -0.380986 0.379733
C -1.870450 2.408473 -0.771420
C -2.967355 1.455448 -0.323467
C -1.166237 2.855569 1.560726
C 0.302910 3.476563 -0.323790
C -2.785229 0.060154 -0.440213
C -4.194724 1.934462 0.206727
C -0.119263 2.635214 2.665541
C 0.950032 3.095811 -1.668526
C -3.754956 -0.863300 0.028637
C -5.198857 1.029590 0.623778
C -4.973796 -0.358697 0.554756
C -2.421020 -3.033518 -0.125107
C -2.518667 -4.445477 -0.296786
C -1.311627 -5.174191 -0.378972
C -0.062457 -3.203724 -0.174680
C -1.299071 -6.677617 -0.537202
C 3.477089 0.224607 -0.103132
C 1.393858 -1.292798 -0.015686
C 4.663083 0.369889 -0.883898
C 3.155878 1.211864 0.871990
C 4.022695 2.308423 1.017348
C 5.488199 1.483209 -0.679783
C 5.198183 2.488511 0.264372
H -1.477348 2.066665 -1.744361
H -2.299783 3.425461 -0.912159
H -2.046657 2.230817 1.787274
H -1.516013 3.916382 1.567567
H 1.097243 3.565947 0.437457
H -0.175404 4.484422 -0.412969
H -1.873325 -0.312918 -0.906924
H 0.196996 1.576432 2.696650
H 0.777322 3.266526 2.545539
H -0.564678 2.880693 3.647392
H 1.780691 3.790733 -1.888215
H 1.368321 2.073731 -1.633622
H 0.241232 3.151809 -2.513162
H -6.149406 1.404383 1.024933
H -5.744754 -1.049682 0.916944
H -4.451355 -2.819965 0.016010
H -5.246869 3.555650 0.678456
H -3.487446 -4.949251 -0.366645
H -0.741174 -7.137798 0.297737
H -2.317723 -7.099660 -0.565981
H -0.767361 -6.954113 -1.465026
H 3.198246 -1.747510 -0.725399
H 4.918654 -0.377490 -1.640919
H 2.288861 1.098443 1.524669
H 5.850105 3.351581 0.408513
H 0.474491 0.652229 0.295328
H -0.478560 -0.829659 0.455938


