%chk=000178632.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178632

0 1
Cl -4.310852 2.554802 -1.960532
P 1.708516 -0.119576 0.231470
O 0.086089 0.325354 -0.236868
O 1.925326 -0.002490 1.690464
O -0.364423 -1.367669 1.086801
N 2.430441 1.084866 -0.830623
N 2.176270 -1.607569 -0.519780
C 3.932335 1.035740 -0.787841
C 2.061744 2.485059 -0.429667
C 1.705046 -1.818059 -1.926150
C 1.865381 -2.853887 0.252617
C 4.397869 2.086213 0.246012
C 3.189235 3.012674 0.485758
C 0.615114 -2.910485 -1.881659
C 0.736537 -3.588265 -0.503665
C -0.816936 -0.444754 0.435689
C -2.223492 -0.034399 0.237286
C -2.547495 0.973336 -0.682573
C -3.224166 -0.669701 0.989190
C -3.890295 1.322635 -0.833254
C -4.561169 -0.297573 0.819467
C -4.904470 0.702510 -0.095284
H 4.287667 1.305703 -1.807865
H 4.336007 0.025136 -0.577145
H 1.061612 2.553234 0.043324
H 2.005766 3.081056 -1.368186
H 2.585986 -2.167283 -2.511489
H 1.350385 -0.888313 -2.416615
H 1.586542 -2.650603 1.311933
H 2.795848 -3.462891 0.271260
H 5.271654 2.646230 -0.121165
H 4.706458 1.600949 1.189779
H 2.881181 2.978932 1.547210
H 3.430025 4.062500 0.259403
H 0.750537 -3.636892 -2.699317
H -0.388794 -2.473783 -2.016593
H -0.213126 -3.508260 0.057946
H 0.958266 -4.662560 -0.599883
H -1.758671 1.467157 -1.260009
H -2.948632 -1.449849 1.705183
H -5.340110 -0.788332 1.404227
H -5.946208 0.997609 -0.232357


%chk=000178632-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178632

0 1
Cl -3.897597 3.986494 -0.340035
P 1.539289 -0.384216 0.675764
O -0.167667 0.250629 0.283082
O 1.677200 -0.565197 2.252215
O -1.181426 -1.816685 0.656833
N 2.325003 0.890198 -0.177397
N 1.921149 -1.786803 -0.223042
C 3.782992 0.798482 -0.510799
C 1.876966 2.314300 -0.062069
C 1.831466 -1.865065 -1.714105
C 1.802974 -3.139951 0.413909
C 4.296469 2.242250 -0.299930
C 3.062864 3.107515 -0.660585
C 1.381508 -3.323525 -1.971132
C 2.004079 -4.099211 -0.781671
C -1.266348 -0.579642 0.439945
C -2.563892 0.154040 0.297390
C -2.595585 1.554346 0.074249
C -3.771387 -0.583841 0.392554
C -3.844247 2.184668 -0.050762
C -5.009979 0.077513 0.264241
C -5.058279 1.474144 0.039384
H 3.913080 0.483830 -1.565695
H 4.301211 0.065396 0.132968
H 1.705079 2.596266 0.996448
H 0.938440 2.468803 -0.619665
H 2.824867 -1.668767 -2.163928
H 1.121037 -1.118570 -2.111953
H 0.798587 -3.259310 0.861136
H 2.562566 -3.259107 1.204241
H 5.177781 2.466149 -0.924933
H 4.572940 2.395595 0.759271
H 3.119249 4.130500 -0.251773
H 2.955914 3.180699 -1.758475
H 1.717384 -3.695799 -2.954048
H 0.279559 -3.390584 -1.926947
H 1.519180 -5.073945 -0.605324
H 3.081198 -4.275421 -0.960145
H -1.660394 2.114331 0.009230
H -3.714191 -1.662102 0.570032
H -5.945619 -0.485957 0.339080
H -6.014421 1.996051 -0.061060


