%chk=000267096.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267096

0 1
S 5.230253 0.169978 -0.071501
O 5.674192 -0.593433 -1.221023
O 5.692851 1.525765 0.149879
N 5.750268 -0.724473 1.304116
N -0.683111 -0.098896 0.416031
N -1.486241 0.456140 -0.366446
N -4.796690 -0.527765 1.121744
N -6.976231 0.038394 0.466651
C 3.511812 0.124483 0.021990
C 2.823591 1.126733 0.716134
C 2.805914 -0.909790 -0.604407
C 0.732387 0.045894 0.180142
C 1.432168 1.097518 0.799882
C 1.414498 -0.957702 -0.532382
C -2.881687 0.304866 -0.117484
C -3.734289 0.955906 -1.040668
C -5.107534 0.869300 -0.885263
C -3.466860 -0.426924 0.950112
C -5.621358 0.124933 0.214366
H 3.377099 1.948432 1.186649
H 3.345848 -1.681225 -1.166828
H 0.892268 1.876264 1.336666
H 0.860939 -1.759363 -1.019146
H 6.216944 -1.614958 1.148973
H 6.229181 -0.223751 2.048932
H -3.299715 1.521910 -1.870244
H -5.778098 1.364741 -1.580093
H -2.837500 -0.951497 1.687237
H -7.646918 0.350101 -0.211435
H -7.311181 -0.555780 1.211615


%chk=000267096-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267096

0 1
S 5.312202 0.022761 -0.112375
O 5.895615 -1.375809 -0.711813
O 5.691669 1.488475 -0.715047
N 5.787475 0.065127 1.667093
N -0.747091 -0.531586 0.000917
N -1.461126 0.572194 0.028989
N -4.887228 -0.997202 0.057077
N -7.007234 -0.035557 0.100607
C 3.437706 -0.111964 -0.060102
C 2.689297 1.080049 -0.029814
C 2.868670 -1.395159 -0.082950
C 0.667783 -0.305826 -0.018527
C 1.287578 0.978333 -0.008851
C 1.462252 -1.483212 -0.061509
C -2.863261 0.383351 0.047829
C -3.662780 1.563838 0.076238
C -5.057225 1.464419 0.094721
C -3.541360 -0.874990 0.039495
C -5.644051 0.158426 0.084319
H 3.196779 2.049905 -0.046596
H 3.503579 -2.284573 -0.139893
H 0.652304 1.868157 0.012310
H 0.954031 -2.452044 -0.080165
H 6.367906 -0.767312 1.863237
H 6.279970 0.956708 1.842850
H -3.159668 2.536067 0.082439
H -5.687969 2.358855 0.116085
H -2.959502 -1.801811 0.017104
H -7.662622 0.740772 0.119899
H -7.350900 -0.994590 0.090633


