%chk=000284641.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284641

0 1
S -1.112771 -0.407808 -1.439730
O -0.148167 6.675640 -0.229198
O 5.016289 -2.868015 -2.730534
O -2.448230 -2.490733 -2.862998
O -1.991555 -3.349500 -0.838501
N -4.239748 -1.892329 0.167960
C -0.065554 0.151449 -0.016839
C 0.167761 1.649775 -0.045869
C 1.245240 -0.545877 -0.339776
C -0.765125 -0.323353 1.235529
C -2.844748 -0.088666 -0.990107
C 1.184151 2.165197 0.784182
C 1.943692 -1.285913 0.625766
C -0.561216 2.531990 -0.850141
C 1.795052 -0.409098 -1.627177
C -1.257424 0.583669 2.186171
C -0.965524 -1.700590 1.444657
C -3.576925 -1.437688 -1.075254
C 1.458417 3.530605 0.812724
C 3.144986 -1.920204 0.300550
C -0.283629 3.903475 -0.824266
C 2.994196 -1.044594 -1.951186
C 0.721058 4.410245 0.005698
C 3.670390 -1.811617 -0.992984
C -1.921874 0.124223 3.328236
C -1.624149 -2.155852 2.587403
C -2.104260 -1.244754 3.534720
C 1.024906 5.885539 0.013037
C 4.967336 -2.491319 -1.347089
C -2.577512 -2.523592 -1.493426
H -3.264729 0.636952 -1.713001
H -2.929431 0.377200 0.008774
H 1.765521 1.485567 1.409767
H 1.558847 -1.372503 1.643101
H -1.342662 2.180553 -1.523498
H 1.304400 0.208777 -2.383391
H -1.123828 1.657921 2.051014
H -0.618909 -2.430553 0.700900
H -4.376692 -1.377484 -1.871432
H 2.249407 3.909032 1.458512
H 3.668258 -2.498722 1.060397
H -0.848431 4.589294 -1.460142
H 3.418790 -0.944323 -2.952808
H -2.292850 0.840075 4.060297
H -1.764275 -3.227054 2.737373
H -2.614698 -1.602330 4.427309
H 1.488629 6.220765 0.959285
H 1.684194 6.164722 -0.836463
H 5.826589 -1.793680 -1.255620
H 5.158402 -3.388981 -0.729731
H -3.558601 -2.193703 0.866921
H -4.797815 -1.149106 0.577045
H -0.827963 6.489148 0.450767
H 4.266974 -3.462463 -2.945569
H -1.790386 -3.154409 -3.202662


%chk=000284641-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000284641

0 1
S -1.139642 -0.797764 -1.382460
O -0.144697 6.539628 -0.887323
O 5.621374 -2.828394 -2.319853
O -4.701701 -1.004699 -3.103305
O -3.854914 -3.042526 -2.372450
N -3.778635 -2.102155 0.250405
C 0.020961 -0.081307 0.044297
C 0.173265 1.457170 -0.046509
C 1.418812 -0.682862 -0.248622
C -0.608780 -0.570368 1.356667
C -2.823931 -0.040534 -0.965616
C 0.903961 2.123463 0.975991
C 2.278896 -1.091799 0.802195
C -0.297911 2.230095 -1.133919
C 1.925607 -0.713060 -1.575032
C -1.347670 0.292871 2.206191
C -0.558878 -1.953315 1.689805
C -3.955995 -1.118373 -0.809552
C 1.136243 3.511487 0.915966
C 3.591029 -1.537495 0.532215
C -0.058043 3.620557 -1.199428
C 3.233637 -1.160990 -1.843978
C 0.663989 4.280836 -0.176929
C 4.088757 -1.575713 -0.791596
C -2.001314 -0.204164 3.359918
C -1.197031 -2.448897 2.843448
C -1.925419 -1.574636 3.688666
C 0.945595 5.774844 -0.260647
C 5.509421 -2.038006 -1.082400
C -4.153184 -1.854790 -2.133199
H -3.086874 0.681558 -1.756942
H -2.719541 0.494934 -0.006946
H 1.298154 1.550918 1.822831
H 1.923713 -1.073985 1.837461
H -0.834563 1.731012 -1.947341
H 1.289671 -0.380637 -2.402382
H -1.405878 1.361905 1.977590
H -0.033284 -2.643602 1.022079
H -4.881709 -0.531197 -0.635794
H 1.697850 3.999296 1.722764
H 4.232032 -1.856613 1.363779
H -0.422880 4.203059 -2.052526
H 3.607513 -1.187214 -2.873339
H -2.567118 0.483429 3.998475
H -1.139855 -3.517339 3.079251
H -2.427609 -1.959612 4.582822
H 1.185205 6.173664 0.748252
H 1.811003 5.977230 -0.916636
H 6.176624 -1.177354 -1.267806
H 5.912362 -2.598833 -0.212157
H -3.227693 -2.917109 -0.036107
H -3.485680 -1.714582 1.151187
H -0.983184 6.362837 -0.389388
H 4.986385 -3.587724 -2.269609
H -4.784647 -1.498148 -3.963764


