%chk=000194965.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194965

0 1
S 1.394941 1.348893 -0.829022
F -4.673184 1.595026 1.517454
O -3.186404 -1.272947 1.489482
O -0.346922 -2.977097 -0.043755
O 1.213464 -1.727576 0.944560
N -1.973378 -0.834946 -0.559396
N 4.451905 -0.382491 0.768928
N 4.226139 1.696291 -0.478065
C -2.477583 0.401132 -1.311925
C -3.636520 0.517257 -0.279538
C -1.288870 1.381923 -1.315753
C -2.986134 -0.661507 0.492681
C -3.768451 1.820589 0.506826
C -0.563606 -0.645913 -0.298505
C -0.149374 0.579914 -0.715029
C -4.290310 2.962468 -0.355360
C 0.199052 -1.766798 0.271194
C 2.283869 0.997480 0.712495
C 3.716440 0.787965 0.284641
C 4.290431 -1.536072 -0.166402
C 4.108629 -0.768561 2.167269
C 5.595823 1.635143 -0.993377
H -2.818471 0.150395 -2.334177
H -4.618787 0.225147 -0.712970
H -1.472123 2.307290 -0.736761
H -1.051688 1.715909 -2.346017
H -2.812481 2.091946 1.017383
H -4.366418 3.897991 0.217419
H -3.635777 3.156238 -1.212839
H -5.294269 2.759939 -0.754734
H 2.190992 1.867158 1.394240
H 1.870892 0.116924 1.256246
H 0.157864 -3.732987 0.375889
H 5.013847 -2.318860 0.112302
H 3.278152 -1.976748 -0.155152
H 4.523037 -1.217107 -1.194466
H 4.205134 0.107494 2.826738
H 3.097424 -1.198874 2.286845
H 4.840589 -1.518965 2.509205
H 6.002236 2.663121 -0.977116
H 5.581275 1.299984 -2.045074
H 6.284314 0.980531 -0.431663


%chk=000194965-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194965

0 1
S 1.343101 0.208567 -0.904588
F -5.114288 2.701460 0.732722
O -3.462832 0.339576 2.531878
O -1.261635 -2.310670 2.422122
O 0.920220 -1.923284 1.729407
N -2.367594 -0.633675 0.566774
N 4.418245 -0.520940 -0.208078
N 4.378934 1.781508 0.662546
C -2.753514 -0.011769 -0.755243
C -3.915303 0.749484 -0.008805
C -1.433085 0.665556 -1.223315
C -3.298453 0.170746 1.316715
C -3.995942 2.274518 -0.125124
C -0.938352 -0.772685 0.650211
C -0.352412 -0.043770 -0.379924
C -4.290404 2.778075 -1.539260
C -0.314973 -1.678699 1.616477
C 2.347211 0.537523 0.708531
C 3.826673 0.621201 0.368781
C 5.547626 -0.433238 -1.147842
C 3.920949 -1.892530 0.008278
C 5.836699 1.999195 0.686528
H -3.103187 -0.759111 -1.485722
H -4.911222 0.328061 -0.232704
H -1.381659 1.753736 -1.021482
H -1.253637 0.530820 -2.304028
H -3.098494 2.761964 0.301921
H -4.440758 3.870820 -1.523749
H -3.452370 2.555240 -2.224109
H -5.205263 2.306080 -1.937957
H 2.032503 1.516369 1.091937
H 2.092262 -0.270899 1.410906
H -0.790673 -2.911906 3.060240
H 6.494447 -0.819521 -0.718042
H 5.314526 -1.035974 -2.048923
H 5.703091 0.606356 -1.470310
H 3.044742 -1.912399 0.670742
H 3.628879 -2.361201 -0.952891
H 4.716030 -2.514973 0.467988
H 6.055806 2.682848 1.526730
H 6.182289 2.512970 -0.233973
H 6.447513 1.081270 0.819335


