%chk=000297303.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297303

0 1
S 1.410442 2.045596 -0.724302
O -1.928299 -0.026469 -0.929300
O -0.319934 -0.100944 0.723494
O 1.107581 2.829159 0.441610
O 1.742553 2.702819 -1.971890
N -0.059927 1.195290 -1.180494
C -2.855684 -0.993486 -0.277984
C -4.052655 -0.944123 -1.248291
C -3.195433 -0.555326 1.152851
C -4.805192 0.388449 -1.163201
C -3.956435 0.772964 1.180697
C -5.197745 0.725700 0.280610
C -2.209331 -2.299997 -0.299077
C -0.737632 0.309996 -0.341318
C -1.671750 -3.377434 -0.318575
C 2.541107 0.814339 -0.379820
C 3.534973 0.504335 -1.320833
C 2.502712 0.126293 0.840483
C 4.448686 -1.165736 0.182279
C 4.482737 -0.476957 -1.045850
C 3.451150 -0.857542 1.121564
C 5.455549 -2.226355 0.474215
H -4.731828 -1.787594 -1.015041
H -3.692217 -1.106849 -2.284133
H -2.261941 -0.473997 1.754459
H -3.795408 -1.350842 1.637691
H -5.703970 0.351206 -1.806184
H -4.162332 1.195462 -1.571603
H -3.284165 1.591413 0.850936
H -4.245135 1.015603 2.220636
H -5.722251 1.699283 0.310626
H -5.917642 -0.021542 0.664448
H -0.520176 1.431090 -2.075882
H -1.208151 -4.301561 -0.331895
H 3.568659 1.042126 -2.276787
H 1.715956 0.350766 1.576404
H 5.250738 -0.711629 -1.780264
H 3.410002 -1.388659 2.071231
H 5.092810 -3.209653 0.134188
H 6.416091 -2.047612 -0.029126
H 5.670088 -2.319480 1.548430


%chk=000297303-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297303

0 1
S 1.437015 2.067155 -0.571017
O -2.038506 0.064946 -0.878734
O -0.384782 -0.133206 0.817718
O 1.116426 2.831411 0.815560
O 1.806667 2.882348 -1.926713
N -0.072520 1.141881 -1.128112
C -2.976931 -0.971300 -0.256703
C -4.172632 -0.978305 -1.248146
C -3.420886 -0.513777 1.160512
C -4.930246 0.368635 -1.264115
C -4.171297 0.835894 1.124316
C -5.376491 0.789009 0.155765
C -2.305611 -2.281466 -0.235736
C -0.797660 0.312694 -0.278095
C -1.800155 -3.404336 -0.240147
C 2.718484 0.721656 -0.284291
C 3.616403 0.465750 -1.332181
C 2.757890 0.079873 0.962852
C 4.704221 -1.194484 0.133131
C 4.615775 -0.505289 -1.105898
C 3.769826 -0.884851 1.157519
C 5.765913 -2.255968 0.352514
H -4.852061 -1.793375 -0.931756
H -3.795909 -1.234358 -2.254463
H -2.539123 -0.469308 1.819665
H -4.091881 -1.303961 1.552608
H -5.806141 0.281706 -1.935084
H -4.271015 1.149759 -1.687608
H -3.476211 1.638183 0.809024
H -4.507237 1.087856 2.147872
H -5.873619 1.776811 0.118491
H -6.125082 0.063732 0.537688
H -0.481427 1.508454 -1.994855
H -1.338123 -4.374056 -0.225620
H 3.546918 1.019699 -2.273732
H 2.027366 0.318891 1.739819
H 5.337870 -0.725007 -1.900331
H 3.830089 -1.405340 2.119805
H 5.386604 -3.254409 0.060576
H 6.669145 -2.058595 -0.250043
H 6.065534 -2.316851 1.412948


