%chk=000221559.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221559

0 1
S 0.057046 1.144466 -0.743606
N -4.874738 -0.196272 -0.099621
C -2.470982 0.358509 -0.296170
C -3.498419 -0.592460 0.349294
C -1.053202 -0.093252 0.020120
C -5.351466 1.016543 0.629655
C -5.832525 -1.325260 0.101056
C 1.649937 0.510437 -0.336887
C 2.269608 -0.396340 -1.199292
C 2.297680 0.971845 0.810771
C 4.221948 -0.400039 0.246781
C 3.557030 -0.852252 -0.905743
C 3.585624 0.515497 1.102047
C 5.604813 -0.876054 0.551266
H -2.645337 0.389000 -1.393934
H -2.644923 1.395908 0.057153
H -3.381738 -0.594374 1.453263
H -3.300855 -1.631671 0.006486
H -0.838934 -1.094445 -0.394408
H -0.867452 -0.139867 1.107777
H -5.463715 0.891418 1.716097
H -6.324166 1.322763 0.212506
H -4.648304 1.845994 0.447959
H -6.825646 -1.020630 -0.267070
H -5.940712 -1.665332 1.140769
H -5.512356 -2.179954 -0.516245
H 1.758957 -0.745165 -2.098049
H 1.808536 1.685542 1.475132
H 4.046145 -1.556700 -1.575001
H 4.096880 0.873816 1.992844
H 5.792004 -1.889363 0.171388
H 6.352534 -0.213894 0.088355
H 5.813527 -0.894615 1.629308


%chk=000221559-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221559

0 1
S 0.084360 1.501812 -0.593174
N -4.914115 -0.329964 -0.111710
C -2.535588 0.515186 -0.246378
C -3.513984 -0.532933 0.331691
C -1.077354 0.126980 0.046505
C -5.507681 0.928548 0.384667
C -5.762043 -1.496238 0.212489
C 1.714506 0.702557 -0.251687
C 2.233778 -0.268775 -1.139730
C 2.468111 1.082774 0.882911
C 4.260655 -0.489577 0.248472
C 3.490495 -0.861409 -0.884659
C 3.728672 0.490791 1.125540
C 5.629024 -1.100392 0.497601
H -2.699568 0.586286 -1.337787
H -2.739310 1.513766 0.185241
H -3.430569 -0.535877 1.452529
H -3.201747 -1.538017 -0.014874
H -0.795543 -0.808068 -0.467639
H -0.891619 0.013976 1.128936
H -5.541426 0.987072 1.503812
H -6.541475 1.019341 0.006422
H -4.938536 1.796590 0.012238
H -6.773993 -1.347008 -0.204921
H -5.867391 -1.679703 1.313202
H -5.334912 -2.406397 -0.245542
H 1.658323 -0.550732 -2.028359
H 2.066103 1.835542 1.569153
H 3.880719 -1.615832 -1.578872
H 4.304010 0.793823 2.009019
H 5.692142 -2.129929 0.103410
H 6.423014 -0.509396 0.000648
H 5.869743 -1.130995 1.574849


