%chk=000217524.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217524

0 1
S -6.950221 0.036742 0.227409
N -2.910376 0.208590 -0.278225
C 2.089015 -0.288504 -0.220520
C 2.400118 1.081456 0.415943
C 3.222330 -1.287890 0.095898
C 0.739107 -0.844439 0.278100
C 3.754776 1.619555 -0.064003
C 4.578898 -0.753568 -0.384009
C 4.884864 0.621695 0.225749
C -0.451677 -0.059534 -0.284181
C -1.783110 -0.641742 0.217237
C -4.242898 -0.376833 0.073623
C -5.319273 0.638690 -0.301557
H 2.036629 -0.159128 -1.328913
H 2.401616 0.992708 1.518575
H 1.599351 1.803261 0.169827
H 3.014079 -2.262204 -0.382040
H 3.260995 -1.480385 1.184515
H 0.650625 -1.909903 -0.009993
H 0.713041 -0.831149 1.384589
H 3.970118 2.586209 0.427876
H 3.711444 1.831194 -1.149457
H 4.584043 -0.682124 -1.488531
H 5.378981 -1.469495 -0.119517
H 5.841375 1.007367 -0.172078
H 5.023755 0.522682 1.319335
H -0.381407 1.007636 0.013152
H -0.420572 -0.064031 -1.390263
H -1.874365 -1.707320 -0.084611
H -1.809180 -0.620558 1.330119
H -2.840227 0.318960 -1.295665
H -4.262948 -0.564372 1.173065
H -4.430702 -1.356488 -0.417481
H -5.316346 0.874315 -1.380160
H -5.143976 1.603266 0.223808
H -7.131181 -0.951460 -0.672016


%chk=000217524-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217524

0 1
S -7.136792 -0.038595 0.127531
N -2.972224 0.171551 -0.263374
C 2.106377 -0.264087 -0.194996
C 2.478808 1.135250 0.364826
C 3.229615 -1.282955 0.134004
C 0.737637 -0.775121 0.320617
C 3.863274 1.612105 -0.137100
C 4.613613 -0.814468 -0.371640
C 4.971195 0.582685 0.189567
C -0.482861 0.049486 -0.148507
C -1.819578 -0.630879 0.206376
C -4.298509 -0.410767 0.027885
C -5.402842 0.613363 -0.278780
H 2.043954 -0.178677 -1.304031
H 2.490453 1.081269 1.474874
H 1.704999 1.877813 0.089648
H 2.977967 -2.269735 -0.304531
H 3.271908 -1.425272 1.235137
H 0.606883 -1.825489 -0.017358
H 0.757432 -0.806562 1.430797
H 4.109833 2.595382 0.309352
H 3.819934 1.762090 -1.236183
H 4.600685 -0.767729 -1.480724
H 5.392036 -1.551064 -0.091638
H 5.943642 0.923553 -0.216570
H 5.089728 0.512733 1.291104
H -0.475473 1.060494 0.299360
H -0.424970 0.187360 -1.250277
H -1.820279 -1.670928 -0.211145
H -1.902050 -0.732708 1.307119
H -2.873666 0.413426 -1.260196
H -4.336183 -0.667539 1.103053
H -4.501317 -1.359575 -0.533162
H -5.387902 0.924935 -1.337976
H -5.279975 1.508600 0.350897
H -7.108648 -1.096744 -0.768362


