%chk=000184556.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184556

0 1
S -1.022877 2.815283 0.000263
O 4.484276 -0.914499 0.000141
O 2.929894 -2.420497 -0.000098
O -4.377712 -0.230189 -0.000039
N -2.130466 -0.918471 0.000127
N -2.151919 1.501589 0.000223
N 3.316026 -1.261395 0.000036
N -3.923072 -2.471186 -0.000523
C -0.025326 0.434991 0.000152
C 0.384631 1.794599 0.000211
C -1.509815 0.345241 0.000167
C 0.933933 -0.577076 0.000085
C 2.283683 -0.204908 0.000088
C 1.733688 2.160061 0.000199
C 2.688472 1.151241 0.000141
C -3.557796 -1.116904 -0.000100
H 0.660384 -1.636870 0.000050
H 2.030345 3.209786 0.000238
H 3.760119 1.386703 0.000143
H -1.505915 -1.725007 0.000188
H -4.908571 -2.695695 -0.000623
H -3.284982 -3.242195 -0.000569


%chk=000184556-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184556

0 1
S -1.040344 2.937350 -0.000073
O 4.506317 -0.975723 -0.001022
O 2.827034 -2.523247 -0.001335
O -4.436519 -0.259978 -0.000465
N -2.144490 -0.868046 -0.000249
N -2.237617 1.538521 -0.000270
N 3.255536 -1.300674 0.000768
N -3.820632 -2.507273 -0.000113
C -0.061468 0.477467 0.000134
C 0.379756 1.837186 0.000202
C -1.533138 0.391660 -0.000138
C 0.891619 -0.561776 0.000313
C 2.255103 -0.214341 0.000576
C 1.753298 2.170351 0.000449
C 2.701425 1.134755 0.000630
C -3.542646 -1.140553 -0.000539
H 0.633767 -1.625760 0.000273
H 2.077845 3.214594 0.000499
H 3.774949 1.338168 0.000825
H -1.506254 -1.665308 -0.000033
H -4.804307 -2.765324 0.000015
H -3.122235 -3.247444 0.000054


