%chk=000187806.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187806

0 1
S -0.446392 1.799464 0.054725
O 4.852793 -0.686510 0.044426
N -0.093871 -0.797741 -0.017203
N -3.246996 1.022898 -0.001222
C 1.195952 -0.205346 0.015457
C 1.190807 1.215402 0.056976
C -1.036939 0.116399 -0.001672
C 2.404839 -0.921680 0.008806
C 2.384376 1.944014 0.092477
C 3.578168 -0.170866 0.044729
C -2.482168 -0.111552 -0.025489
C 3.584313 1.252629 0.086500
C -3.036968 -1.403099 -0.069977
C -4.430915 -1.526680 -0.089822
C -5.223597 -0.378716 -0.065492
C -4.591873 0.879997 -0.021272
C 4.999686 -2.127729 0.006150
H 2.388702 -2.006046 -0.023235
H 2.369773 3.033786 0.124223
H 4.542567 1.768462 0.113016
H -2.385794 -2.279387 -0.088369
H -4.890169 -2.515315 -0.123993
H -6.308994 -0.447438 -0.080161
H -5.174879 1.809237 -0.001130
H 6.091710 -2.241043 0.017602
H 4.572556 -2.528108 -0.917961
H 4.548313 -2.579133 0.894512


%chk=000187806-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187806

0 1
S -0.474710 1.975200 0.060629
O 4.885400 -0.746050 0.043308
N -0.092714 -0.699772 -0.013004
N -3.313719 1.044946 -0.002356
C 1.188310 -0.124033 0.018710
C 1.207885 1.308568 0.060822
C -1.047079 0.219991 0.002601
C 2.397845 -0.863925 0.011035
C 2.433106 2.009224 0.095591
C 3.614088 -0.152166 0.046069
C -2.487330 -0.051177 -0.022715
C 3.630357 1.274493 0.088129
C -2.977241 -1.384363 -0.066358
C -4.371657 -1.587895 -0.090059
C -5.233064 -0.464639 -0.069784
C -4.655932 0.827465 -0.025906
C 4.945270 -2.209180 0.001441
H 2.345413 -1.954508 -0.021536
H 2.462971 3.102384 0.127756
H 4.601641 1.777413 0.114355
H -2.263106 -2.212045 -0.080311
H -4.780902 -2.603010 -0.123765
H -6.321061 -0.580768 -0.087164
H -5.285636 1.724119 -0.008861
H 6.017408 -2.453720 0.007278
H 4.475664 -2.603947 -0.920942
H 4.453792 -2.656706 0.887635


