%chk=000275096.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000275096

0 1
S 0.066793 1.087916 -1.840652
O -4.362259 1.162999 0.328058
O -0.378259 -1.718617 -1.533709
O 5.766373 -0.145967 1.401463
O 6.530705 0.834884 -0.366674
N -1.767921 2.390783 0.457264
N 5.617325 0.395485 0.315748
C -1.986412 1.153150 -0.043493
C -3.336540 -0.975524 0.410825
C -2.293650 -1.735701 -0.144541
C -1.101641 0.392272 -0.787072
C -3.354834 0.497417 0.249983
C -1.178358 -1.058832 -0.902707
C -4.384669 -1.609192 1.090747
C -2.297318 -3.125292 -0.010315
C -0.452589 3.064739 0.397731
C -2.871968 3.220059 0.998602
C -4.377495 -3.001909 1.232275
C -3.337906 -3.757090 0.683953
C 1.659081 0.818401 -1.156321
C 1.871675 0.178515 0.070357
C 2.733424 1.309771 -1.916220
C 3.170584 0.030047 0.552168
C 4.031951 1.166704 -1.438128
C 4.245939 0.535437 -0.198344
H -5.203678 -1.013657 1.501085
H -1.485799 -3.708613 -0.458696
H -0.252629 3.483632 -0.608312
H 0.365054 2.362831 0.652290
H -0.404806 3.891332 1.127293
H -3.304335 2.761369 1.907526
H -3.695775 3.323831 0.261502
H -2.524620 4.232688 1.258906
H -5.189460 -3.495977 1.766607
H -3.335978 -4.843073 0.790018
H 1.034081 -0.230085 0.637391
H 2.560447 1.788809 -2.881879
H 3.364551 -0.474669 1.504711
H 4.889017 1.536827 -2.011341


%chk=000275096-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000275096

0 1
S 0.060613 1.240828 -1.783252
O -4.108312 1.059128 1.403206
O -0.252227 -1.709088 -1.374853
O 5.912576 -0.285450 1.382353
O 6.711122 0.635179 -0.548702
N -1.911830 2.505178 0.421229
N 5.740644 0.261462 0.221834
C -2.031669 1.158639 0.130350
C -3.300989 -1.050444 0.594153
C -2.271947 -1.772874 -0.064705
C -1.089214 0.413567 -0.611653
C -3.229531 0.427752 0.738000
C -1.130438 -1.054890 -0.718515
C -4.401311 -1.743691 1.161242
C -2.342014 -3.182907 -0.144603
C -0.597572 3.162420 0.576186
C -3.058273 3.427412 0.607698
C -4.469149 -3.148001 1.075472
C -3.436479 -3.868773 0.423169
C 1.733637 0.890036 -1.133253
C 1.965883 0.282042 0.124879
C 2.827183 1.280506 -1.951453
C 3.281585 0.071540 0.572142
C 4.145203 1.075480 -1.510769
C 4.359564 0.474638 -0.248209
H -5.179071 -1.163806 1.667595
H -1.536377 -3.711051 -0.663554
H -0.292208 3.717380 -0.329489
H 0.182313 2.422425 0.810704
H -0.676089 3.871151 1.421611
H -3.286079 3.583025 1.677392
H -3.963492 3.043123 0.121659
H -2.784025 4.395895 0.148403
H -5.316589 -3.683674 1.515641
H -3.490216 -4.960715 0.357696
H 1.122473 -0.038821 0.743875
H 2.646573 1.734955 -2.931252
H 3.489252 -0.399409 1.536555
H 5.004583 1.365529 -2.120682


