%chk=000279322.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279322

0 1
Cl 3.425491 4.374286 -0.953294
S -6.266199 -0.745546 0.528497
F -7.500457 0.145643 0.083102
O -6.140437 -1.686693 -0.543592
O -6.608633 -1.128135 1.865744
N 2.890688 -1.499403 -0.252121
N 1.561961 -3.556190 -0.790603
N 2.850431 -3.377781 1.280692
N 3.983445 -1.420884 1.916018
N 1.273032 -5.126225 0.951440
C 2.139763 -2.324936 -1.337824
C 0.646448 3.709154 0.964667
C 1.983686 3.109377 1.427715
C 3.009582 -0.071838 -0.406890
C -0.479005 2.668145 0.943884
C 2.573859 2.184100 0.402707
C 0.997279 -1.473288 -1.901319
C 3.180470 -2.690806 -2.408694
C 2.455917 0.796282 0.550785
C -1.801201 3.291435 0.468249
C 3.225194 -2.133142 0.965669
C 3.684165 0.441624 -1.530089
C 3.251572 2.673745 -0.726853
C -2.906539 2.273870 0.486014
C 3.800683 1.821536 -1.688111
C 1.899699 -3.997485 0.408808
C -3.179545 1.503204 -0.657439
C -3.673663 2.083970 1.649037
C -4.213825 0.568380 -0.640794
C -4.706248 1.147771 1.661048
C -4.986420 0.392546 0.514569
H 0.767059 4.160504 -0.041244
H 0.376088 4.546445 1.638087
H 2.696930 3.932740 1.652805
H 1.845106 2.581849 2.394806
H -0.611197 2.227682 1.951659
H -0.201274 1.823646 0.280767
H 0.366019 -2.093439 -2.557665
H 0.337409 -1.102270 -1.107208
H 1.350689 -0.619920 -2.485812
H 2.711312 -3.310445 -3.186281
H 3.608872 -1.805191 -2.891611
H 4.004731 -3.280132 -1.990273
H 1.929685 0.385241 1.415225
H -2.062735 4.160166 1.108031
H -1.673747 3.712935 -0.551005
H 4.107669 -0.239324 -2.273131
H 4.321068 2.233608 -2.554803
H -2.581045 1.634228 -1.558239
H -3.459935 2.667725 2.543500
H 4.328971 -1.973126 2.698276
H 4.645656 -0.735989 1.576289
H -4.417735 -0.033925 -1.534766
H -5.296174 1.000045 2.573846
H 0.813115 -5.750022 0.301672
H 1.731670 -5.575347 1.732257


%chk=000279322-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279322

0 1
Cl 3.650714 4.532706 -0.890995
S -6.074372 -1.095682 0.188059
F -7.260860 -0.203840 -0.934648
O -5.546664 -2.359486 -0.652022
O -6.844476 -1.253542 1.590122
N 2.752275 -1.441640 -0.238802
N 1.097263 -3.288534 -0.297671
N 3.207858 -3.490818 0.941165
N 4.688495 -1.698135 1.117032
N 1.503600 -5.066126 1.176814
C 1.653852 -2.163028 -1.060263
C 0.721883 3.783774 1.128073
C 2.110732 3.206604 1.539542
C 3.001514 -0.032627 -0.385027
C -0.388606 2.713816 1.056140
C 2.694268 2.271319 0.493678
C 0.505731 -1.176727 -1.354885
C 2.288979 -2.688454 -2.377945
C 2.527230 0.867363 0.602816
C -1.739583 3.291909 0.547830
C 3.529260 -2.238518 0.596499
C 3.696156 0.478748 -1.511448
C 3.382017 2.735552 -0.656570
C -2.822307 2.229984 0.450982
C 3.886046 1.870893 -1.647304
C 1.913864 -3.903943 0.549659
C -2.745090 1.220110 -0.547280
C -3.906301 2.203417 1.367650
C -3.722430 0.209501 -0.644838
C -4.901373 1.204400 1.298040
C -4.771669 0.236952 0.289365
H 0.817515 4.293639 0.149263
H 0.437310 4.562758 1.863236
H 2.802425 4.051274 1.712664
H 2.003648 2.663755 2.497801
H -0.538271 2.259388 2.056364
H -0.073070 1.893649 0.382844
H -0.277516 -1.735459 -1.893350
H 0.071067 -0.805940 -0.410477
H 0.834640 -0.324474 -1.975109
H 1.533662 -3.273153 -2.931056
H 2.634037 -1.860051 -3.024012
H 3.141067 -3.353808 -2.151604
H 2.002614 0.458022 1.473512
H -2.065450 4.106674 1.221794
H -1.569220 3.747900 -0.447894
H 4.084338 -0.206598 -2.271059
H 4.421079 2.278955 -2.509698
H -1.915492 1.225700 -1.263515
H -3.978162 2.974644 2.142560
H 5.207810 -2.276352 1.772742
H 5.056294 -0.803656 0.804768
H -3.666289 -0.572943 -1.407837
H -5.738027 1.175821 2.002886
H 0.591718 -5.454504 0.954537
H 2.103669 -5.480788 1.883075


