%chk=000284848.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284848

0 1
S -3.933617 -2.547853 -0.031901
S 3.940309 -2.541732 -0.004379
S -8.984821 0.108777 -0.039809
S 8.987270 0.122725 0.039990
O -1.365725 1.842926 -0.002560
O 1.365378 1.844911 0.026819
O -4.431892 -2.369150 1.558008
O 4.438246 -2.340416 -1.591687
O -3.593163 -3.928472 -0.219566
O -4.986132 -1.950680 -0.812703
O 3.602070 -3.925343 0.164305
O 4.991883 -1.953648 0.784542
O -8.870265 -0.359816 -1.648524
O 8.873642 -0.368032 1.642150
O -8.572654 -1.066184 0.686556
O -10.281212 0.692100 0.142548
O 8.576947 -1.042855 -0.702360
O 10.282693 0.710593 -0.134474
N -3.754423 0.307505 0.086067
N 3.756534 0.314697 -0.083048
N -4.031233 1.587202 0.068087
N 4.031284 1.594470 -0.047440
C 0.002510 -1.503634 -0.010964
C 0.001409 -0.129689 -0.001492
C -2.436564 -1.630809 0.000644
C 2.441786 -1.626728 -0.024308
C -1.245935 -2.264147 -0.020354
C 1.252173 -2.262201 -0.012042
C -1.270158 0.625377 0.005868
C 1.271764 0.627443 0.001574
C -2.516580 -0.188024 0.032650
C 2.519491 -0.183512 -0.036439
C -5.431912 1.939211 0.099318
C 5.431391 1.949132 -0.073851
C -6.428314 0.953033 -0.039115
C 6.429393 0.962755 0.050960
C -7.765444 1.334866 0.040801
C 7.765899 1.347820 -0.023713
C -5.773660 3.293196 0.272328
C 5.770940 3.305923 -0.228201
C -8.121131 2.675915 0.209018
C 8.119408 2.691633 -0.173449
C -7.122352 3.651337 0.317554
C 7.119048 3.666839 -0.268520
H -1.175084 -3.361985 -0.050021
H 1.183082 -3.360455 0.002505
H -3.306584 2.339712 0.036332
H 3.305428 2.345302 -0.005290
H -6.144558 -0.103480 -0.212043
H 6.147354 -0.096498 0.209311
H -5.395800 -2.304422 1.701443
H 5.402046 -2.272090 -1.734214
H -5.002160 4.059062 0.371762
H 4.998195 4.071834 -0.317063
H -9.178550 2.965866 0.258482
H 9.176355 2.983950 -0.218941
H -7.399181 4.699841 0.443628
H 7.394172 4.717425 -0.380153
H -8.695722 -1.306070 -1.804328
H 8.700924 -1.316657 1.785007


%chk=000284848-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000284848

0 1
S -4.002695 -2.949481 -0.200637
S 4.010264 -2.944708 0.159629
S -9.095066 0.519336 0.151753
S 9.094577 0.532882 -0.150185
O -1.387612 1.641849 -0.005905
O 1.386709 1.644140 0.032900
O -4.649057 -2.540118 1.482555
O 4.659462 -2.505326 -1.514893
O -3.505787 -4.486386 -0.231518
O -5.062635 -2.439858 -1.309956
O 3.516266 -4.482847 0.163428
O 5.066971 -2.451955 1.279619
O -9.280178 0.368585 -1.683141
O 9.287526 0.364920 1.682387
O -8.659224 -0.921201 0.748828
O -10.366560 1.312326 0.756017
O 8.656713 -0.902056 -0.759213
O 10.363331 1.331984 -0.752105
N -3.778565 0.068648 -0.047300
N 3.780381 0.074854 0.051596
N -3.922525 1.392731 -0.024394
N 3.922260 1.399357 0.047560
C 0.002709 -1.806499 -0.012327
C 0.001366 -0.375718 -0.001502
C -2.423753 -1.885286 -0.083078
C 2.429291 -1.881850 0.057604
C -1.228851 -2.561334 -0.055785
C 1.235677 -2.559637 0.019773
C -1.274152 0.349989 -0.023688
C 1.275547 0.351996 0.031381
C -2.526596 -0.460896 -0.058416
C 2.529440 -0.457040 0.054611
C -5.228775 1.931428 0.019550
C 5.227774 1.940248 0.008251
C -6.353374 1.065821 0.001575
C 6.353244 1.075633 0.013086
C -7.608173 1.667968 0.085970
C 7.607282 1.679860 -0.067030
C -5.395004 3.338167 0.092713
C 5.392541 3.347908 -0.047994
C -7.832083 3.053319 0.168279
C 7.829766 3.066310 -0.133108
C -6.691008 3.889829 0.165636
C 6.687900 3.901615 -0.117330
H -1.210034 -3.656002 -0.072851
H 1.218903 -3.654473 0.020044
H -3.023136 1.961367 -0.016208
H 3.022154 1.966755 0.047628
H -6.219115 -0.017597 -0.067248
H 6.220187 -0.008670 0.068916
H -5.636507 -2.715010 1.472979
H 5.647347 -2.677891 -1.505886
H -4.516346 3.992565 0.102399
H 4.513288 4.001580 -0.047685
H -8.846770 3.454772 0.246046
H 8.843829 3.469718 -0.208741
H -6.815937 4.974930 0.225345
H 6.811667 4.987480 -0.164176
H -9.927577 -0.372976 -1.868681
H 9.936918 -0.377261 1.858226


