%chk=000216994.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216994

0 1
S 2.223872 -3.159418 0.608714
N 0.107668 -0.328343 -1.198930
N 1.935205 3.292863 0.936773
C -1.207603 -0.118821 -0.640198
C 0.736050 0.878584 -1.819105
C 1.002724 -1.295964 -0.665984
C -0.494276 -0.365366 1.788475
C 0.073519 -1.791603 1.707243
C -1.535612 -0.145161 0.731925
C 0.959126 -1.953456 0.537099
C 1.692162 1.659790 -0.904888
C 2.097905 -1.762914 -1.522775
C -2.225559 0.101910 -1.595112
C 0.950578 2.473615 0.163910
C -2.873990 0.036464 1.116591
C 2.836041 -2.755701 -0.971998
C -3.543851 0.294130 -1.190561
C -3.872276 0.260524 0.169390
C 1.253932 4.176356 1.923813
H 1.294259 0.529663 -2.719494
H -0.070615 1.547627 -2.192828
H 0.327884 0.385831 1.665067
H -0.905160 -0.186388 2.801080
H -0.764055 -2.524609 1.654969
H 0.616311 -2.022162 2.649621
H 2.406301 0.967650 -0.407859
H 2.320788 2.324368 -1.529348
H 2.257415 -1.342328 -2.506380
H 0.459022 1.771859 0.886503
H 0.139897 3.076502 -0.297000
H -1.976825 0.099977 -2.656130
H -3.135260 0.004769 2.173961
H 3.682262 -3.273523 -1.388751
H -4.320878 0.461334 -1.934580
H -4.903019 0.404293 0.485487
H 2.481607 3.874334 0.291421
H 0.535711 4.890252 1.494366
H 2.022147 4.743971 2.474567
H 0.720291 3.557786 2.664243


%chk=000216994-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216994

0 1
S 2.185062 -3.132654 0.706694
N 0.039729 -0.016563 -0.767053
N 2.388391 3.524658 0.592311
C -1.371523 -0.129415 -0.535955
C 0.520622 1.031745 -1.703153
C 0.944996 -1.063895 -0.409175
C -0.940696 -0.596330 1.941990
C -0.117233 -1.910735 1.863384
C -1.880471 -0.424938 0.765231
C 0.849814 -1.902503 0.707079
C 1.678529 1.881186 -1.127781
C 2.091236 -1.384734 -1.254129
C -2.282988 0.078829 -1.608191
C 1.270125 2.684967 0.121236
C -3.280868 -0.536130 0.940942
C 2.849198 -2.443977 -0.805328
C -3.674995 -0.013902 -1.405888
C -4.183498 -0.331895 -0.125847
C 2.126691 4.258175 1.843729
H 0.824283 0.597262 -2.680209
H -0.333552 1.701589 -1.902886
H -0.234873 0.255913 1.990108
H -1.521600 -0.599177 2.882126
H -0.820527 -2.764807 1.789443
H 0.444960 -2.047231 2.809401
H 2.548206 1.250147 -0.872407
H 2.009437 2.578586 -1.926885
H 2.328962 -0.852714 -2.176771
H 1.005210 1.980645 0.933354
H 0.342550 3.275879 -0.102176
H -1.897719 0.279319 -2.613680
H -3.666520 -0.763246 1.942775
H 3.739797 -2.883085 -1.249888
H -4.357218 0.141856 -2.249284
H -5.263124 -0.413680 0.039168
H 2.737434 4.142050 -0.152976
H 1.229477 4.925462 1.811844
H 3.004611 4.875663 2.104705
H 1.971784 3.536375 2.667438


