%chk=000268653.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268653

0 1
S 2.311160 1.748838 -0.306828
O -1.128662 -0.194566 -0.303062
O -0.727170 2.019215 -0.559614
N -4.608396 0.487602 0.867916
C -2.583077 0.019214 -0.454244
C -3.087648 -1.377293 -0.821090
C -3.111362 0.518477 0.900922
C -4.616971 -1.397850 -0.737235
C -5.107988 -0.908712 0.635796
C -5.161543 1.038192 2.140620
C -0.300149 0.900128 -0.388865
C 1.093486 0.489579 -0.242041
C 3.080714 -0.713462 0.039722
C 1.632671 -0.744171 -0.058232
C 3.603325 0.597307 -0.078939
C 3.964548 -1.793007 0.229502
C 4.974645 0.855195 -0.013304
C 5.328713 -1.539725 0.295229
C 5.831037 -0.225035 0.174766
H -2.743495 0.766704 -1.259879
H -2.644285 -2.128381 -0.137469
H -2.743877 -1.655594 -1.834808
H -2.665369 -0.079284 1.723670
H -2.786364 1.573834 1.052712
H -5.044745 -0.751561 -1.531519
H -4.995481 -2.418599 -0.928576
H -6.219094 -0.876736 0.642620
H -4.798219 -1.620957 1.429494
H -4.889714 0.479995 3.048078
H -6.260625 1.071520 2.066652
H -4.818987 2.079876 2.258406
H 1.062827 -1.665144 0.010630
H 3.575956 -2.805400 0.321842
H 5.359893 1.869028 -0.106646
H 6.028909 -2.361507 0.441490
H 6.907334 -0.061621 0.230785


%chk=000268653-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268653

0 1
S 2.365231 1.843172 -0.404760
O -1.093286 -0.279254 -0.238091
O -0.728800 2.015178 -0.583735
N -4.615958 0.461775 0.910891
C -2.573835 -0.071597 -0.366471
C -3.160330 -1.416938 -0.806826
C -3.140231 0.374853 0.995897
C -4.705858 -1.335695 -0.800591
C -5.223387 -0.846758 0.567129
C -5.209911 1.074497 2.115100
C -0.285108 0.856701 -0.373212
C 1.137843 0.509194 -0.243423
C 3.154129 -0.695510 0.058803
C 1.711982 -0.728546 -0.007430
C 3.680271 0.626269 -0.137102
C 4.059805 -1.770638 0.283362
C 5.066419 0.884547 -0.113696
C 5.441561 -1.517565 0.307719
C 5.942108 -0.198477 0.110157
H -2.753853 0.723376 -1.112276
H -2.822568 -2.198726 -0.097761
H -2.779826 -1.688721 -1.807765
H -2.803616 -0.355731 1.778330
H -2.737226 1.369449 1.254443
H -5.049522 -0.630977 -1.581217
H -5.135218 -2.328855 -1.030202
H -6.321573 -0.722293 0.535138
H -4.995092 -1.620270 1.349535
H -5.045669 0.473092 3.045249
H -6.298826 1.193271 1.972302
H -4.774447 2.076765 2.274276
H 1.108142 -1.630190 0.112869
H 3.673133 -2.784502 0.434518
H 5.458346 1.895413 -0.264436
H 6.144448 -2.339576 0.479652
H 7.022717 -0.020636 0.132124


