%chk=000248998.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248998

0 1
S -3.989169 -0.664594 -0.626982
O 3.090928 -0.173741 0.203017
O 0.769842 -1.412412 0.443014
O -0.862335 3.100807 0.036939
N -2.201020 1.296346 -0.251093
N -1.392019 -0.952265 -0.037829
C 1.487913 1.480902 0.705607
C 0.151116 0.931093 0.320427
C 2.597707 1.114556 -0.280227
C -0.891434 1.886622 0.052252
C -0.117812 -0.433638 0.252441
C 3.885192 -0.915941 -0.772010
C -2.365606 -0.078290 -0.266353
C 3.931488 -2.328807 -0.224956
C -3.840543 -2.453343 -0.536565
H 1.766350 1.126471 1.724338
H 1.426710 2.591970 0.789704
H 3.448294 1.815447 -0.239506
H 2.234056 1.016691 -1.316247
H -2.978122 1.938454 -0.439693
H 3.402312 -0.860484 -1.762893
H 4.878403 -0.435079 -0.804471
H 4.590244 -2.969050 -0.823592
H 4.301122 -2.344385 0.810349
H 2.934266 -2.795030 -0.215224
H 1.758854 -1.034859 0.563361
H -3.518204 -2.787762 0.461810
H -3.098777 -2.840212 -1.252674
H -4.821157 -2.891168 -0.762945


%chk=000248998-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248998

0 1
S -4.186792 -0.595090 -0.601969
O 2.950221 -0.343393 0.126077
O 0.670486 -1.443753 0.475637
O -0.839839 3.152263 -0.085855
N -2.247730 1.301568 -0.334305
N -1.526710 -0.938305 -0.005906
C 1.422794 1.479492 0.690760
C 0.075022 0.916688 0.270069
C 2.634624 1.078244 -0.162518
C -0.962917 1.886143 -0.045490
C -0.244467 -0.456905 0.245785
C 4.006649 -0.926597 -0.727025
C -2.472963 -0.058463 -0.277258
C 4.175445 -2.394325 -0.336802
C -3.962756 -2.452197 -0.406752
H 1.645409 1.213367 1.743969
H 1.328815 2.580568 0.648715
H 3.521102 1.686577 0.106830
H 2.424635 1.196000 -1.245322
H -2.997358 1.964310 -0.557354
H 3.710094 -0.820920 -1.791887
H 4.940570 -0.352111 -0.561600
H 4.968059 -2.858512 -0.950585
H 4.459630 -2.485390 0.725504
H 3.238742 -2.955911 -0.497850
H 1.642240 -1.081780 0.425796
H -3.622531 -2.671263 0.613965
H -3.216858 -2.805268 -1.131106
H -4.955017 -2.886738 -0.603522


