%chk=000213398.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213398

0 1
Cl 4.038436 2.203845 -0.542348
O -2.680072 1.037584 -1.872348
O -1.515017 -0.826075 -0.238924
O 0.397443 -2.293050 -1.447063
N -1.017675 2.740959 0.917098
C -1.357500 4.187739 0.693252
C 0.333729 2.759619 1.571381
C -0.035328 4.980294 0.582679
C 1.060929 4.049803 1.133867
C -1.020257 1.959082 -0.356852
C -2.419024 1.320049 -0.495612
C -2.555416 0.029560 0.333934
C -1.421008 -2.119668 0.194324
C -0.359384 -2.849749 -0.406103
C -2.239519 -2.746240 1.138529
C -0.125588 -4.180769 -0.074721
C -2.000538 -4.088645 1.462399
C -0.960252 -4.802032 0.864664
C 1.242030 -1.236233 -1.128692
C 1.705093 -0.956381 0.164119
C 1.640303 -0.486735 -2.252237
C 2.589638 0.109957 0.338777
C 2.518329 0.577094 -2.064700
C 2.973080 0.865830 -0.771568
H -2.005110 4.330243 -0.190161
H -1.939706 4.516669 1.579974
H 0.153115 2.761569 2.667383
H 0.918103 1.850708 1.340473
H -0.088941 5.922217 1.151150
H 0.173815 5.259064 -0.463222
H 1.821272 3.832182 0.363320
H 1.598075 4.510924 1.977347
H -0.241367 1.162859 -0.336261
H -0.805853 2.566921 -1.261808
H -3.232461 2.036000 -0.228292
H -3.535744 -0.452198 0.191084
H -2.331678 0.197245 1.401224
H -2.100345 0.305788 -2.189298
H -3.056030 -2.212003 1.615612
H 0.690843 -4.721701 -0.553548
H -2.642875 -4.579437 2.194731
H -0.791102 -5.845097 1.125468
H 1.384640 -1.556938 1.013143
H 1.260697 -0.748002 -3.238736
H 2.978488 0.345789 1.330416
H 2.845631 1.180662 -2.912653


%chk=000213398-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213398

0 1
Cl 4.371250 2.051299 -0.848159
O -2.384279 1.079782 -2.164699
O -1.425950 -0.795464 -0.355161
O 0.448540 -2.494355 -1.447804
N -1.043055 2.689409 0.989954
C -1.579528 4.083315 1.054035
C 0.282412 2.803395 1.665525
C -0.350105 5.050848 0.884179
C 0.898859 4.159618 1.190697
C -0.992420 2.141305 -0.393589
C -2.307980 1.395887 -0.731702
C -2.487696 0.128401 0.112309
C -1.370032 -2.084220 0.173399
C -0.363767 -2.937201 -0.368812
C -2.226251 -2.585872 1.181915
C -0.238051 -4.266584 0.067612
C -2.090181 -3.922855 1.623339
C -1.105000 -4.767765 1.067830
C 1.353568 -1.427879 -1.237508
C 1.822154 -1.051088 0.042067
C 1.819158 -0.775724 -2.401615
C 2.751961 0.005823 0.157520
C 2.748052 0.280412 -2.287696
C 3.195414 0.661685 -1.006668
H -2.355026 4.234705 0.283139
H -2.050640 4.239314 2.043107
H 0.113615 2.832025 2.760251
H 0.912793 1.928264 1.438216
H -0.426485 5.906226 1.578559
H -0.302279 5.461330 -0.139580
H 1.504617 4.005698 0.279612
H 1.557640 4.606004 1.956211
H -0.150991 1.428714 -0.469134
H -0.841987 2.921107 -1.172756
H -3.166916 2.064421 -0.541361
H -3.476638 -0.333541 -0.070827
H -2.347014 0.368059 1.183116
H -1.768874 0.317521 -2.328734
H -2.999548 -1.945621 1.616174
H 0.534961 -4.892925 -0.388212
H -2.762522 -4.300612 2.400995
H -1.007079 -5.803971 1.405929
H 1.467992 -1.569695 0.938079
H 1.447111 -1.095762 -3.379032
H 3.126560 0.306529 1.140484
H 3.109536 0.799341 -3.180003


