%chk=000245830.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245830

0 1
S 0.856902 -1.717625 -0.182688
O -1.020130 -0.050314 -0.041041
C -0.562899 -1.110543 0.802296
C -1.558344 -2.254352 0.951277
C -2.171656 -2.696283 -0.384809
C -2.266701 1.865190 -0.541562
C -2.082588 0.775331 0.513469
C -3.431845 2.794671 -0.184193
C -3.368197 -3.620801 -0.179070
C -3.614660 3.889428 -1.232421
C 2.110636 -0.507147 0.083475
C 3.401915 -0.970677 0.346875
C 1.834150 0.856341 -0.031258
C 4.437683 -0.041783 0.494887
C 2.874472 1.776589 0.128760
C 4.174470 1.328412 0.389198
H -0.237753 -0.700283 1.781500
H -2.366843 -1.939968 1.643588
H -1.071413 -3.118981 1.448255
H -1.407024 -3.205565 -1.005454
H -2.472418 -1.798978 -0.966436
H -2.431706 1.391328 -1.531277
H -1.327120 2.440942 -0.653743
H -2.984154 0.153113 0.640399
H -1.759241 1.175263 1.488207
H -3.258965 3.254466 0.808861
H -4.367900 2.208987 -0.090673
H -3.092074 -4.522347 0.379489
H -3.780343 -3.947482 -1.141158
H -4.176494 -3.126387 0.370408
H -2.719289 4.515096 -1.324800
H -3.821471 3.468928 -2.223730
H -4.451033 4.549122 -0.975179
H 3.606995 -2.037303 0.437413
H 0.815086 1.194601 -0.248440
H 5.450021 -0.387739 0.695651
H 2.672834 2.842726 0.043940
H 4.983098 2.047125 0.508283


%chk=000245830-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245830

0 1
S 0.897512 -1.875747 -0.314345
O -1.185229 -0.095869 -0.373422
C -0.637550 -1.129400 0.516667
C -1.645921 -2.255006 0.813327
C -2.156914 -3.003269 -0.438518
C -2.387828 1.994816 -0.663247
C -2.050975 0.876268 0.327913
C -3.329000 3.058255 -0.051788
C -3.253381 -4.032327 -0.092327
C -3.674945 4.184394 -1.049933
C 2.149805 -0.572099 0.048241
C 3.409229 -0.976371 0.553834
C 1.895084 0.794323 -0.224388
C 4.415125 -0.010130 0.786677
C 2.898998 1.755471 0.034153
C 4.161648 1.358396 0.534418
H -0.280315 -0.656569 1.455233
H -2.510722 -1.804402 1.344193
H -1.178461 -2.967580 1.521235
H -1.309287 -3.516473 -0.933458
H -2.539522 -2.262510 -1.165632
H -2.857173 1.545368 -1.559566
H -1.447688 2.472289 -1.002163
H -2.980987 0.378818 0.679268
H -1.515308 1.279299 1.217255
H -2.856239 3.497100 0.850666
H -4.263909 2.569753 0.291372
H -2.880171 -4.790285 0.622473
H -3.601779 -4.564688 -0.996078
H -4.131887 -3.541034 0.368341
H -2.761800 4.709376 -1.387705
H -4.178612 3.777677 -1.946782
H -4.347303 4.934173 -0.594453
H 3.594894 -2.033926 0.769835
H 0.926667 1.083748 -0.644374
H 5.389870 -0.327459 1.174140
H 2.699381 2.812911 -0.174337
H 4.940695 2.105810 0.721576


