%chk=000180817.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180817

0 1
S 1.178906 0.061255 -1.147617
F 2.136758 -1.230793 0.916407
F 1.823748 0.813328 1.284347
F 3.968198 -0.353988 -1.264396
F 4.606508 -0.163644 0.737057
N -4.348983 -1.004601 0.701734
C -1.315650 0.889949 -0.360160
C -2.641960 0.636808 0.030280
C -0.440152 -0.197750 -0.564284
C -3.061808 -0.710648 0.224708
C -0.859896 -1.519894 -0.381160
C -2.165519 -1.784230 0.007048
C -0.820035 2.282458 -0.571457
C -3.619475 1.745365 0.265628
C 2.242839 -0.030931 0.320765
C 3.681692 0.320271 -0.126069
H -0.165986 -2.349242 -0.545210
H -2.490565 -2.809536 0.159679
H -0.061386 2.552220 0.179366
H -0.353557 2.407715 -1.560274
H -1.620019 3.036857 -0.497970
H -3.182111 2.736388 0.057877
H -4.503078 1.654813 -0.379243
H -3.950875 1.765451 1.314334
H 3.856120 1.412430 -0.282319
H -4.682869 -1.950053 0.598700
H -5.069845 -0.308199 0.604232


%chk=000180817-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180817

0 1
S 1.241438 -0.039464 -1.414811
F 2.131466 -1.264911 0.880271
F 1.731332 0.963444 1.103234
F 4.242855 -0.537002 -1.074256
F 4.473289 0.143766 1.106961
N -4.364069 -0.978614 0.685486
C -1.303260 0.872560 -0.435358
C -2.619103 0.621395 0.046170
C -0.462907 -0.242697 -0.730483
C -3.075362 -0.727842 0.216995
C -0.917761 -1.571198 -0.561227
C -2.214577 -1.817878 -0.092435
C -0.819656 2.301833 -0.617046
C -3.577810 1.745061 0.404495
C 2.229078 -0.026594 0.185143
C 3.710130 0.331014 -0.076477
H -0.248405 -2.403836 -0.795518
H -2.564289 -2.848171 0.040716
H -0.758122 2.827252 0.354301
H 0.182539 2.325947 -1.070745
H -1.500911 2.880147 -1.267503
H -3.127612 2.739344 0.274891
H -4.491501 1.715532 -0.224585
H -3.901222 1.673960 1.463475
H 3.830321 1.375128 -0.412853
H -4.683635 -1.933534 0.819093
H -5.001244 -0.222840 0.914071


