%chk=000202678.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202678

0 1
S 2.232111 -1.259139 -0.793498
N 2.138531 1.020716 0.495257
C -0.090498 0.067510 0.012405
C 1.369194 0.115428 0.011137
C 3.867561 -0.538127 -0.412021
C 3.584739 0.786804 0.320145
C -0.825526 1.241296 -0.231462
C -0.766641 -1.139669 0.255962
C -2.898116 -0.002152 -0.003049
C -2.219264 1.204252 -0.242238
C -2.160917 -1.171745 0.247421
C -4.390556 -0.044191 -0.029597
H 4.426125 -0.385591 -1.350850
H 4.442317 -1.244526 0.210400
H 4.056265 0.799700 1.329874
H 4.007175 1.654865 -0.236313
H -0.299025 2.181512 -0.407057
H -0.206855 -2.054459 0.459414
H -2.781121 2.116281 -0.434946
H -2.678588 -2.110398 0.436258
H -4.799729 -0.823500 0.627512
H -4.841623 0.907121 0.283903
H -4.754457 -0.254989 -1.046958


%chk=000202678-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202678

0 1
S 2.365368 -1.546240 -0.378165
N 2.123214 1.135869 0.050582
C -0.067338 0.015126 -0.049153
C 1.407154 0.057855 -0.088169
C 3.943030 -0.587425 0.051731
C 3.578095 0.921775 -0.117224
C -0.798086 1.230974 0.062464
C -0.785238 -1.206860 -0.119774
C -2.930531 -0.003798 0.024693
C -2.204070 1.215774 0.101369
C -2.194738 -1.211897 -0.082919
C -4.448326 -0.010569 0.033462
H 4.743651 -0.904110 -0.633178
H 4.213150 -0.834830 1.090425
H 4.127347 1.539488 0.615112
H 3.854962 1.279531 -1.129666
H -0.239162 2.170186 0.120882
H -0.241358 -2.156015 -0.190721
H -2.752016 2.161583 0.192043
H -2.732495 -2.166177 -0.134533
H -4.847579 -0.956112 0.440150
H -4.854463 0.821500 0.635212
H -4.849470 0.101370 -0.992925


