%chk=000235519.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235519

0 1
S 2.568781 0.612214 0.147018
O 3.029465 0.644776 -1.477758
O 2.412741 2.008616 0.477054
O 3.547470 -0.189338 0.825647
N -2.522395 0.686569 -0.349789
C -1.364910 -0.097355 -0.158446
C 1.053442 -0.200274 0.025779
C -0.112196 0.556463 -0.054675
C -3.856768 0.117643 -0.000287
C -1.405140 -1.511674 -0.172759
C 1.015048 -1.595622 0.015554
C -0.222814 -2.242953 -0.086622
C -4.882015 1.233326 0.172669
H -0.064259 1.649070 -0.040744
H -2.423866 1.675618 -0.116128
H -4.162055 -0.557270 -0.834979
H -3.808067 -0.503475 0.923311
H -2.354337 -2.035172 -0.265747
H 1.934117 -2.182001 0.091640
H -0.260265 -3.333228 -0.100008
H -4.651036 1.885823 1.023335
H -4.951916 1.866513 -0.722626
H -5.882789 0.817395 0.348089
H 3.571964 1.398135 -1.750223


%chk=000235519-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235519

0 1
S 2.666389 0.682766 0.090241
O 2.952733 0.744812 -1.747935
O 2.450811 2.196770 0.622743
O 3.816516 -0.251799 0.740565
N -2.558213 0.681612 0.022651
C -1.394239 -0.073596 -0.001373
C 1.023983 -0.218201 0.012892
C -0.122555 0.578376 0.032540
C -3.911413 0.112118 -0.002948
C -1.418404 -1.503020 -0.058737
C 1.043480 -1.621816 -0.035117
C -0.223246 -2.250010 -0.069616
C -4.967329 1.226747 0.077386
H -0.037645 1.669564 0.089014
H -2.474681 1.697523 0.054546
H -4.060455 -0.477871 -0.932359
H -4.043359 -0.587641 0.849328
H -2.376097 -2.030351 -0.089027
H 1.980086 -2.184263 -0.030661
H -0.276665 -3.343191 -0.108232
H -4.863448 1.806599 1.012701
H -4.881219 1.921700 -0.778278
H -5.981951 0.793940 0.058723
H 3.865121 1.133033 -1.889741


