%chk=000291505.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291505

0 1
S 3.881258 -0.980195 0.977729
O -2.227611 1.682591 1.413747
O -0.364360 -1.690288 -1.005666
O 5.210854 -1.038096 1.547454
O 3.069034 -2.171891 0.880340
O -2.568266 -2.158309 -0.835998
N 3.092238 0.162379 2.013249
C -0.464680 0.230585 1.012654
C -1.633412 -0.236320 0.285487
C -0.867951 1.410778 1.691741
C -2.657562 0.654535 0.558611
C 1.727520 0.528501 1.928354
C 0.839640 -0.232685 1.150557
C -0.020850 2.154021 2.507605
C 1.290820 1.699393 2.615465
C -4.049224 0.800206 0.155563
C -1.638591 -1.434999 -0.540826
C 3.920240 -0.192079 -0.552540
C -4.805179 -0.315930 -0.239002
C -4.644593 2.078261 0.172265
C 5.056439 0.541027 -0.918287
C 2.836808 -0.290482 -1.432509
C -6.139906 -0.151438 -0.619746
C -5.976159 2.232308 -0.209560
C -6.725408 1.117163 -0.606787
C -0.109045 -2.986193 -1.644264
C 5.106212 1.181906 -2.157920
C 2.885218 0.353135 -2.673250
C 4.017772 1.089272 -3.034275
C 0.598052 -3.857084 -0.630174
H 1.113725 -1.185978 0.679688
H -0.366631 3.043199 3.029124
H 1.995595 2.251738 3.233312
H 3.624651 0.577600 2.788106
H -4.350245 -1.316798 -0.253721
H -4.056367 2.942718 0.486712
H 5.912200 0.605912 -0.236224
H 1.940976 -0.870433 -1.160371
H -6.721786 -1.019982 -0.927923
H -6.434645 3.220016 -0.198489
H -7.766245 1.240713 -0.905190
H -1.061655 -3.418790 -2.002142
H 0.530225 -2.699207 -2.496974
H 5.989854 1.751234 -2.442725
H 2.037055 0.281278 -3.353788
H 4.054998 1.592304 -4.001789
H 0.995168 -4.770241 -1.086823
H 1.450929 -3.332978 -0.156383
H -0.068010 -4.155779 0.189383


%chk=000291505-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291505

0 1
S 4.083661 -1.074242 0.651396
O -1.993131 1.686513 0.970486
O -0.720402 -2.614072 -0.087783
O 5.598296 -1.138715 1.239505
O 3.291842 -2.379925 0.101725
O -2.891920 -2.325003 -0.851637
N 3.039393 -0.410003 2.157326
C -0.461005 -0.043021 0.946493
C -1.702129 -0.510669 0.316523
C -0.687654 1.308839 1.319940
C -2.619163 0.566764 0.348912
C 1.787430 0.190186 1.847666
C 0.791328 -0.623781 1.246187
C 0.262208 2.132778 1.937102
C 1.529720 1.562720 2.170005
C -3.998884 0.853511 -0.064181
C -1.880914 -1.856828 -0.260784
C 4.025108 0.226478 -0.729472
C -4.824320 -0.098156 -0.731519
C -4.538717 2.147908 0.218409
C 5.046475 1.190817 -0.764781
C 2.970789 0.159240 -1.655657
C -6.142393 0.241875 -1.099672
C -5.855178 2.474662 -0.153632
C -6.667425 1.523038 -0.816188
C -0.714999 -3.992661 -0.668134
C 4.998062 2.153826 -1.799406
C 2.938346 1.136795 -2.677347
C 3.944947 2.128879 -2.745270
C 0.581430 -4.652459 -0.206351
H 0.998262 -1.670280 1.026124
H 0.036353 3.168568 2.203149
H 2.323594 2.170825 2.619992
H 3.709864 0.199536 2.659701
H -4.425191 -1.090430 -0.955691
H -3.917313 2.886117 0.731093
H 5.861121 1.166889 -0.033351
H 2.221570 -0.635728 -1.591333
H -6.761367 -0.502868 -1.611832
H -6.250006 3.471007 0.073354
H -7.693069 1.778003 -1.105528
H -1.618480 -4.523092 -0.317981
H -0.775154 -3.896249 -1.767968
H 5.782721 2.914391 -1.868163
H 2.131638 1.117952 -3.417173
H 3.914726 2.879339 -3.542519
H 0.672298 -5.652282 -0.669138
H 1.464084 -4.052876 -0.488810
H 0.592650 -4.777519 0.890013


