%chk=000297428.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297428

0 1
S 1.279460 -1.258932 0.922892
O -1.896325 0.408801 -0.772320
O 0.075612 -0.042700 -1.793178
O 1.272174 -2.528841 0.245690
O 1.286226 -1.231456 2.374580
N -0.215342 -0.452304 0.502695
C -2.500134 0.293182 0.584938
C -1.358702 -0.347137 1.463438
C -3.750686 -0.566376 0.393753
C -2.810053 1.726366 1.033773
C -4.782804 0.132681 -0.501968
C -3.860923 2.388247 0.132293
C -5.127948 1.530468 0.026296
C -1.702826 -1.690509 2.089517
C -0.600752 -0.047002 -0.793712
C 2.494207 -0.226003 0.310794
C 3.219143 0.587235 1.195329
C 2.794794 -0.200586 -1.057844
C 4.232646 1.414692 0.721239
C 3.810863 0.625915 -1.538315
C 4.537596 1.439264 -0.653747
C 5.613021 2.335630 -1.167044
H -1.055520 0.362681 2.279718
H -4.198911 -0.792482 1.380697
H -3.470818 -1.538944 -0.059468
H -1.883236 2.333713 1.021789
H -3.167023 1.711225 2.082042
H -5.694476 -0.487360 -0.577791
H -4.372605 0.213816 -1.530956
H -3.427086 2.536654 -0.879270
H -4.107168 3.394182 0.517923
H -5.858141 2.018188 -0.646648
H -5.623141 1.455384 1.012443
H -2.609511 -1.632976 2.701908
H -1.846265 -2.485847 1.346466
H -0.892341 -2.027765 2.762709
H 2.989999 0.566124 2.268073
H 2.222345 -0.822056 -1.761986
H 4.790374 2.042464 1.413255
H 4.031520 0.642169 -2.604790
H 6.107305 1.930720 -2.061813
H 5.197863 3.316836 -1.448835
H 6.400291 2.521939 -0.423364


%chk=000297428-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297428

0 1
S 1.313521 -1.321259 1.052354
O -2.074565 -0.158592 -0.840149
O 0.015253 -0.603801 -1.818140
O 1.529460 -2.783029 0.392672
O 1.266185 -1.144621 2.668869
N -0.341279 -0.619384 0.543221
C -2.558599 0.074425 0.594372
C -1.512289 -0.730406 1.456499
C -4.006721 -0.431951 0.653668
C -2.466914 1.591324 0.876412
C -4.941353 0.400029 -0.258791
C -3.402905 2.415184 -0.037033
C -4.861443 1.909946 0.064884
C -1.865144 -2.194640 1.776970
C -0.703719 -0.488706 -0.809018
C 2.547242 -0.095810 0.334390
C 3.000011 0.925737 1.183634
C 3.001556 -0.289528 -0.978928
C 3.970544 1.812846 0.669213
C 3.972870 0.613264 -1.462852
C 4.465010 1.673561 -0.655382
C 5.488366 2.649798 -1.204635
H -1.297771 -0.181347 2.389572
H -4.353136 -0.361321 1.705146
H -4.042227 -1.497219 0.365737
H -1.416537 1.922285 0.768316
H -2.752586 1.749767 1.936892
H -5.979333 0.033527 -0.146057
H -4.648348 0.235524 -1.313030
H -3.055357 2.327787 -1.083962
H -3.340915 3.484525 0.240934
H -5.511430 2.480405 -0.625299
H -5.244077 2.090454 1.091508
H -2.769076 -2.246931 2.408781
H -2.039021 -2.781067 0.858084
H -1.036305 -2.661301 2.336690
H 2.627596 1.004120 2.209929
H 2.608828 -1.101927 -1.595535
H 4.352332 2.617476 1.307679
H 4.348950 0.491769 -2.484652
H 6.151031 2.168556 -1.944432
H 4.987873 3.495807 -1.714298
H 6.117125 3.074022 -0.403030


