%chk=000291556.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291556

0 1
S -2.915369 0.146943 0.170935
S 0.954060 0.585068 0.754812
O -3.560806 -0.200423 -1.081845
O -3.714380 0.765871 1.211763
O -0.430000 3.947424 1.940622
O -0.497562 1.770310 2.458918
N -1.704760 1.335587 -0.162335
C -0.768942 1.178258 -1.241542
C -1.136107 1.428696 -2.587228
C 0.546059 0.765320 -0.953604
C -1.762117 2.644103 0.496902
C -2.055097 -1.219702 0.753116
C -0.190057 1.212454 -3.600014
C 1.106707 0.774082 -3.301967
C 1.477620 0.557414 -1.964451
C -2.505003 1.894054 -2.942763
C -1.355416 -1.155649 1.962173
C -2.061186 -2.406299 0.005790
C 2.101481 0.560763 -4.395585
C -0.851923 2.654042 1.716444
C -0.672911 -2.285802 2.432575
C -1.377564 -3.529047 0.472012
C 2.447731 -0.362778 0.759093
C -0.684539 -3.467155 1.689524
C 3.643730 0.273706 1.093132
C 2.393951 -1.736695 0.515776
C 4.814333 -0.487911 1.188374
C 3.569881 -2.488578 0.606937
C 4.776873 -1.864788 0.943790
H -2.806317 2.869958 0.850180
H -1.468372 3.471981 -0.193945
H -0.472120 1.390771 -4.636399
H 2.492393 0.235456 -1.732496
H -3.248726 1.088937 -2.746308
H -2.821332 2.757188 -2.343373
H -2.606825 2.170095 -3.998455
H -1.335440 -0.225804 2.551438
H -2.606240 -2.451625 -0.944919
H 2.701139 1.469758 -4.556495
H 2.803416 -0.252943 -4.167254
H 1.625214 0.313907 -5.353997
H -0.128861 -2.232412 3.374764
H -1.385350 -4.451602 -0.104930
H -0.154208 -4.346906 2.055804
H 3.671321 1.347840 1.279710
H 1.448552 -2.220077 0.261657
H 0.166733 4.028554 2.729715
H 5.754471 -0.006471 1.452119
H 3.545458 -3.560172 0.417851
H 5.690003 -2.453898 1.016679


%chk=000291556-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291556

0 1
S -2.663549 -0.242368 -0.140046
S 1.289594 0.065311 0.640896
O -2.587494 -0.998694 -1.589562
O -4.066181 0.499849 0.306959
O -1.872873 4.320329 1.881072
O -1.677412 2.174657 2.743563
N -1.210441 1.324144 -0.021501
C -0.410607 1.297721 -1.194973
C -0.804613 1.781190 -2.492472
C 0.887975 0.705306 -1.038210
C -2.002499 2.525064 0.298962
C -2.177616 -1.507349 1.173789
C 0.130324 1.722080 -3.547633
C 1.432086 1.187305 -3.376842
C 1.796898 0.667257 -2.111653
C -2.202270 2.304600 -2.774284
C -2.002387 -1.078714 2.499217
C -2.024361 -2.834267 0.739454
C 2.422872 1.177221 -4.525151
C -1.810993 2.926077 1.756800
C -1.660844 -2.066517 3.452609
C -1.686954 -3.802084 1.713470
C 2.883473 -0.818164 0.313794
C -1.508299 -3.418680 3.063686
C 4.100564 -0.236899 0.737495
C 2.869390 -2.108204 -0.267523
C 5.312275 -0.950489 0.574858
C 4.083349 -2.812820 -0.436452
C 5.305263 -2.236150 -0.014008
H -3.099180 2.313191 0.193140
H -1.757352 3.381830 -0.347374
H -0.170064 2.083715 -4.538623
H 2.792915 0.236009 -1.971440
H -2.976426 1.750686 -2.217279
H -2.304903 3.377719 -2.520720
H -2.434042 2.199243 -3.847226
H -2.086866 -0.022373 2.774851
H -2.164301 -3.090278 -0.315561
H 3.018947 2.110903 -4.538203
H 3.133245 0.336597 -4.441455
H 1.911077 1.102429 -5.500465
H -1.506896 -1.771912 4.495869
H -1.566344 -4.849006 1.415482
H -1.244014 -4.173557 3.812368
H 4.096619 0.760688 1.188572
H 1.917677 -2.550815 -0.579735
H -1.822931 4.570099 2.843949
H 6.254922 -0.501405 0.906556
H 4.072877 -3.811249 -0.887421
H 6.243964 -2.787420 -0.138897


