%chk=000284508.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284508

0 1
S 3.942639 -1.129542 -0.569900
S -3.932326 -1.180606 -0.565830
O 4.227381 -2.509372 -0.233400
O 3.667623 -0.782942 -1.952477
O -3.658127 -0.844497 -1.951100
O -4.207602 -2.559348 -0.217170
N 0.006855 -1.140895 3.008916
C 0.001841 -0.497196 0.459369
C 1.272085 -1.127184 -0.186561
C -1.260975 -1.140272 -0.188213
C 2.568361 -0.588691 0.410440
C -2.563620 -0.621321 0.412169
C -0.008059 1.015387 0.247305
C 0.004281 -0.847417 1.892031
C -0.038638 1.916588 1.320238
C 0.011376 1.515213 -1.066016
C 5.266102 -0.131979 0.000712
C -5.263971 -0.187652 -0.006093
C -0.048842 3.295452 1.083108
C 0.000913 2.891806 -1.298686
C -0.029167 3.787079 -0.224109
H 1.246786 -0.935616 -1.285338
H 1.232129 -2.233066 -0.071321
H -1.206656 -2.246023 -0.078254
H -1.239323 -0.942812 -1.286074
H 2.666151 -0.923184 1.463969
H 2.519977 0.518167 0.472932
H -2.654827 -0.959210 1.465264
H -2.530791 0.485950 0.476513
H -0.054697 1.564262 2.351429
H 0.035207 0.830704 -1.916377
H 6.240389 -0.498120 -0.364548
H 5.210350 0.908283 -0.345908
H 5.371794 -0.103857 1.091238
H -6.235840 -0.570479 -0.360514
H -5.220723 0.846951 -0.371149
H -5.365194 -0.141481 1.084167
H -0.072244 3.986608 1.925074
H 0.016203 3.267014 -2.322335
H -0.037225 4.860301 -0.407002


%chk=000284508-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000284508

0 1
S 4.001210 -1.119062 -0.661892
S -3.990903 -1.167180 -0.672595
O 4.604866 -2.590255 -0.286493
O 3.389145 -0.808285 -2.151870
O -3.383775 -0.843776 -2.161794
O -4.569539 -2.649029 -0.299573
N -0.003320 -1.079595 3.291664
C 0.000320 -0.562162 0.665019
C 1.272667 -1.240568 0.034111
C -1.262682 -1.252336 0.027983
C 2.578988 -0.699961 0.612596
C -2.576605 -0.726264 0.602679
C -0.006360 0.962476 0.385354
C -0.001777 -0.835445 2.123909
C -0.015536 1.923492 1.426602
C -0.003534 1.411640 -0.961918
C 5.361098 0.185944 -0.315768
C -5.372426 0.114301 -0.324152
C -0.022147 3.306654 1.129403
C -0.010087 2.791248 -1.257385
C -0.019546 3.745629 -0.212893
H 1.259387 -1.047830 -1.056515
H 1.214284 -2.334021 0.179318
H -1.193695 -2.345401 0.171682
H -1.247109 -1.057424 -1.062189
H 2.911420 -1.176514 1.547005
H 2.590969 0.400354 0.679119
H -2.904059 -1.204242 1.538153
H -2.602416 0.374015 0.665939
H -0.017522 1.596171 2.472619
H 0.003900 0.693971 -1.789687
H 6.176774 -0.075452 -1.003969
H 4.930497 1.171326 -0.540647
H 5.661275 0.072213 0.735383
H -6.183485 -0.159014 -1.013179
H -4.957988 1.107094 -0.546784
H -5.670914 -0.006664 0.726665
H -0.029270 4.035663 1.947070
H -0.007807 3.119001 -2.302346
H -0.024701 4.816291 -0.444126


