%chk=000223149.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223149

0 1
S -2.142774 1.553066 -0.208403
O -2.988081 2.211351 0.753175
O -1.781610 2.189718 -1.452883
O 2.051825 -0.633211 3.094501
O 0.280935 0.567476 2.985920
N -0.671007 1.280566 0.712028
N 1.314437 0.115074 2.473249
C 0.602338 0.986580 0.250088
C 2.957524 0.265811 0.588615
C 1.614997 0.470683 1.102753
C 3.203973 0.481515 -0.792713
C -2.683428 -0.043068 -0.504649
C 0.898451 1.187745 -1.145979
C 2.140327 0.936015 -1.641915
C 4.063608 -0.122286 1.401597
C 4.505321 0.273847 -1.334733
C -3.419562 -0.727105 0.473824
C -2.403789 -0.670222 -1.725936
C -3.572065 -2.662453 -0.982720
C 5.316290 -0.309500 0.860145
C -3.859970 -2.027241 0.240087
C -2.841916 -1.970996 -1.966163
C 5.546386 -0.118837 -0.526027
C -4.039987 -4.056627 -1.221735
H -0.770625 1.333607 1.769091
H 0.125217 1.603703 -1.809219
H 2.354679 1.095768 -2.702926
H 3.922444 -0.281583 2.476779
H 4.661749 0.436444 -2.401097
H -3.657218 -0.237099 1.425885
H -1.843617 -0.134995 -2.501693
H -4.428322 -2.554288 1.005877
H -2.618681 -2.451251 -2.917791
H 6.149729 -0.607627 1.498133
H 6.543358 -0.280968 -0.930130
H -5.127396 -4.150257 -1.075637
H -3.822154 -4.419380 -2.235732
H -3.564085 -4.761873 -0.521366


%chk=000223149-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000223149

0 1
S -2.182630 1.616674 -0.160433
O -3.129061 2.259000 0.982246
O -1.894451 2.367307 -1.572941
O 2.215176 -0.203765 3.378605
O 0.254520 0.876996 3.072367
N -0.601070 1.353303 0.787691
N 1.402179 0.412119 2.585657
C 0.650945 1.041302 0.299782
C 3.044224 0.298667 0.661113
C 1.708109 0.591073 1.180024
C 3.255313 0.430003 -0.766765
C -2.761007 -0.139234 -0.532793
C 0.924543 1.153744 -1.111105
C 2.174354 0.848992 -1.612869
C 4.179369 -0.083872 1.451923
C 4.536889 0.170822 -1.342144
C -3.410855 -0.843460 0.495095
C -2.547217 -0.655153 -1.819100
C -3.648875 -2.734665 -1.074261
C 5.429165 -0.321013 0.859630
C -3.851490 -2.151579 0.207671
C -3.000442 -1.968978 -2.077742
C 5.620993 -0.204192 -0.544590
C -4.125771 -4.146856 -1.355561
H -0.694388 1.359734 1.835596
H 0.136357 1.537383 -1.763714
H 2.363202 0.953152 -2.687746
H 4.068452 -0.202980 2.527325
H 4.653460 0.281084 -2.426585
H -3.583008 -0.381853 1.472699
H -2.070963 -0.047747 -2.595080
H -4.362752 -2.726758 0.988030
H -2.850795 -2.398773 -3.074194
H 6.270872 -0.606614 1.500040
H 6.602213 -0.400058 -0.988549
H -5.204912 -4.254235 -1.141224
H -3.958551 -4.432761 -2.407317
H -3.594792 -4.878707 -0.718481


