%chk=000272705.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272705

0 1
S 4.043395 -0.076577 1.947340
O -4.251792 0.416219 0.563381
O -4.069149 -0.519849 -1.470095
N -2.357092 -1.843514 0.726031
C 2.060769 -0.230020 0.208355
C 2.343684 -0.344985 1.593305
C 0.736225 -0.415425 -0.226561
C 3.274336 0.085700 -0.560936
C 1.381256 -0.638692 2.555608
C -0.254161 -0.689158 0.747665
C 4.427005 0.201164 0.257634
C 0.063712 -0.810996 2.106375
C 0.328821 -0.334308 -1.660388
C 3.431263 0.282336 -1.937383
C 1.735724 -0.764897 3.998121
C 5.685641 0.498190 -0.246332
C -1.674389 -0.821713 0.327915
C 4.692385 0.582117 -2.461132
C 5.812382 0.690766 -1.626643
C -3.753817 -2.024443 0.317538
C -4.553056 -0.794970 -0.161747
C -4.607875 0.448685 1.959211
C -4.679750 0.635268 -2.125068
C -6.114444 0.452203 2.161955
C -4.059129 0.632223 -3.508817
H -0.726848 -1.054556 2.817661
H 1.172365 -0.468238 -2.356533
H -0.406910 -1.110565 -1.922303
H -0.128323 0.641440 -1.882983
H 2.570432 0.196526 -2.606076
H 2.168414 0.168609 4.389117
H 0.868364 -1.006643 4.626229
H 2.479005 -1.561449 4.158909
H 6.551165 0.579773 0.408338
H -2.049559 0.005570 -0.307751
H 4.805311 0.733247 -3.533696
H 6.785933 0.925477 -2.053137
H -3.768384 -2.791071 -0.498740
H -4.278857 -2.487106 1.186695
H -5.649009 -0.952962 -0.162437
H -4.112170 -0.387493 2.482832
H -4.143337 1.407013 2.267498
H -5.772800 0.493025 -2.144464
H -4.422064 1.533591 -1.536145
H -6.376031 0.775028 3.177048
H -6.602724 1.144658 1.463317
H -6.560482 -0.536181 2.010921
H -4.429056 1.466432 -4.114541
H -2.965030 0.711074 -3.450671
H -4.277649 -0.302920 -4.041722


%chk=000272705-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000272705

0 1
S 4.247811 -0.761669 1.855240
O -4.182138 0.790107 0.159262
O -4.153253 -0.971374 -1.374281
N -2.518523 -1.520106 1.294117
C 2.084998 -0.215218 0.292496
C 2.466407 -0.859317 1.510485
C 0.698315 -0.212558 -0.081876
C 3.250472 0.369149 -0.402752
C 1.558017 -1.512700 2.377366
C -0.230589 -0.875880 0.778925
C 4.477317 0.163176 0.309799
C 0.213785 -1.507009 1.979938
C 0.253724 0.495203 -1.352369
C 3.342465 1.074577 -1.637873
C 2.021910 -2.179534 3.656129
C 5.725308 0.624539 -0.148838
C -1.679101 -0.948456 0.465420
C 4.585376 1.541615 -2.110460
C 5.775967 1.323280 -1.373635
C -3.952532 -1.608923 0.961866
C -4.581422 -0.614760 -0.046190
C -4.416369 1.337565 1.509504
C -4.851820 -0.226693 -2.449014
C -5.903471 1.445611 1.891003
C -4.349016 -0.781831 -3.779692
H -0.552280 -1.995590 2.591536
H 0.700926 0.025223 -2.248769
H -0.836654 0.482177 -1.485292
H 0.565372 1.555824 -1.340289
H 2.454371 1.261122 -2.240978
H 2.507970 -1.452769 4.335519
H 1.175049 -2.635985 4.194331
H 2.764420 -2.974501 3.449703
H 6.637184 0.443974 0.429484
H -2.028129 -0.515807 -0.483125
H 4.627958 2.080739 -3.063129
H 6.735332 1.692033 -1.752079
H -4.156858 -2.626722 0.571669
H -4.508853 -1.531004 1.916668
H -5.695630 -0.683683 0.022078
H -3.855504 0.741457 2.258506
H -3.960090 2.341037 1.462405
H -5.948117 -0.377403 -2.334779
H -4.633253 0.851944 -2.343026
H -6.002229 1.989810 2.848873
H -6.464032 2.002710 1.119493
H -6.376422 0.455596 2.022052
H -4.841744 -0.263246 -4.622398
H -3.258491 -0.635994 -3.871140
H -4.560234 -1.862131 -3.859180


