%chk=000213052.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213052

0 1
S 4.048281 1.840738 1.526112
P -3.245319 -0.355554 -1.828564
F -1.072790 -4.369293 -0.770544
F -3.054235 -4.623786 -0.082331
F -1.941428 -2.904650 0.483817
F -4.945638 -2.177835 0.904270
F -5.906127 -0.762287 2.148461
F -3.790023 -0.886941 2.126065
O -2.929261 2.060542 -2.272601
O -2.156401 -1.627374 -1.690288
O -3.465299 0.202688 -0.268651
O -4.522472 -0.797600 -2.441878
N -0.601722 3.007203 0.187243
N 1.392129 3.686857 1.120502
N 0.033462 0.666926 -0.396848
N 2.352800 0.136683 0.316594
N 1.009730 -1.421818 -0.881522
C -2.012969 3.021966 -0.219961
C -2.188380 3.179002 -1.741152
C 0.258630 1.910976 0.122090
C -2.152200 0.911802 -2.629899
C 1.505337 2.347072 0.716273
C 0.151383 4.066028 0.807939
C 2.534604 1.380218 0.787829
C -2.735873 -2.936557 -1.794634
C -4.822927 0.141920 0.195311
C 1.120809 -0.178133 -0.285361
C -2.216281 -3.692293 -0.559978
C -4.856444 -0.905941 1.321070
C 5.126089 0.455723 1.372645
C 6.322667 0.652407 0.678189
C 4.833873 -0.758356 1.996704
C 7.255573 -0.388584 0.627825
C 5.770267 -1.796358 1.932521
C 6.979065 -1.609658 1.253522
H -2.541247 3.835438 0.323947
H -2.497436 2.057535 0.107402
H -1.232638 3.307071 -2.276461
H -2.869388 4.016535 -1.991689
H -1.115928 0.903460 -2.230469
H -2.125048 0.846170 -3.733000
H -0.283315 5.039701 0.980699
H -3.852187 -2.940699 -1.854450
H -2.337576 -3.370407 -2.739906
H -5.018604 1.163542 0.593066
H -5.575883 -0.086444 -0.602023
H 1.688116 -2.133107 -0.643884
H 0.080876 -1.744831 -1.139498
H 6.532785 1.599068 0.178902
H 3.885646 -0.904190 2.516325
H 8.195161 -0.249158 0.096113
H 5.555878 -2.749544 2.412674
H 7.707075 -2.418672 1.208985


%chk=000213052-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213052

0 1
S 4.147575 2.065590 1.565264
P -3.403290 -0.342606 -1.800229
F -0.462698 -3.836518 -1.672673
F -2.131964 -5.286928 -1.138295
F -1.531065 -3.646527 0.313831
F -4.427908 -2.262023 0.985660
F -6.063056 -1.205421 2.166277
F -3.880278 -0.718634 2.553934
O -2.840649 2.244951 -2.553980
O -2.249260 -1.671892 -1.673766
O -3.624802 0.292926 -0.166446
O -4.794739 -0.810878 -2.422711
N -0.566073 3.200767 0.143748
N 1.371411 3.897273 1.175291
N 0.103252 0.914273 -0.488816
N 2.384056 0.376931 0.257804
N 1.043766 -1.207582 -0.835609
C -1.945305 3.191612 -0.365900
C -2.017203 3.298707 -1.920685
C 0.323890 2.129406 0.071808
C -2.234852 0.931634 -2.564398
C 1.518991 2.571929 0.717035
C 0.124021 4.235334 0.817397
C 2.564842 1.610283 0.774219
C -2.772657 -3.043243 -1.711751
C -4.917209 0.079802 0.481286
C 1.176768 0.063027 -0.341825
C -1.732850 -3.934087 -1.044456
C -4.806749 -1.013941 1.542380
C 5.083323 0.475192 1.447960
C 6.056173 0.318817 0.437270
C 4.867750 -0.536617 2.409034
C 6.822751 -0.869256 0.388298
C 5.633219 -1.723557 2.351825
C 6.611867 -1.890376 1.343583
H -2.482344 4.031017 0.107079
H -2.438836 2.255239 -0.044983
H -0.994338 3.284937 -2.344835
H -2.520008 4.226290 -2.236142
H -1.301731 0.854572 -1.956438
H -2.076841 0.589907 -3.603019
H -0.344172 5.197310 1.017963
H -3.729085 -3.141916 -1.170705
H -2.907004 -3.375081 -2.755819
H -5.194659 1.023549 0.977819
H -5.694640 -0.210586 -0.251181
H 1.812988 -1.861309 -0.715337
H 0.141167 -1.523692 -1.190002
H 6.208464 1.111906 -0.301588
H 4.110658 -0.398415 3.187225
H 7.579558 -0.993990 -0.393968
H 5.467308 -2.511659 3.094484
H 7.207663 -2.809247 1.304591


