%chk=000291119.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291119

0 1
S 0.273109 0.763970 -0.994584
O 0.289779 1.982147 -1.845518
O -1.736387 -2.914403 -0.281602
O -0.007582 -1.625861 -0.528147
O -6.274377 1.340593 0.476807
O -6.072448 -0.807117 0.673266
N -1.205346 -1.823961 -0.358147
N -5.633181 0.305547 0.446423
C 3.666867 0.096425 0.850649
C 4.889841 -0.769698 0.399191
C 3.374923 1.250842 -0.128462
C 2.390832 -0.748087 1.034525
C 0.939880 1.316641 0.646905
C 2.206787 2.120731 0.352659
C 1.216509 0.106202 1.531713
C 5.163448 -1.860343 1.456323
C 4.637190 -1.438623 -0.962826
C 6.142876 0.125681 0.299978
C -1.483935 0.637863 -0.490976
C -2.051606 -0.616454 -0.248744
C -2.281004 1.780154 -0.469404
C -3.414011 -0.751009 0.058092
C -3.639277 1.677579 -0.163669
C -4.191034 0.411201 0.108897
H 3.930491 0.543677 1.840989
H 3.164724 0.848895 -1.138942
H 4.274601 1.886077 -0.247086
H 2.576046 -1.568320 1.754803
H 2.123096 -1.249369 0.081011
H 0.196231 1.982641 1.140555
H 2.505937 2.664736 1.272230
H 1.994392 2.909602 -0.404086
H 0.314738 -0.526108 1.636981
H 1.442399 0.468741 2.558346
H 4.330378 -2.566466 1.536375
H 6.054034 -2.443758 1.199848
H 5.331193 -1.429432 2.447734
H 4.467665 -0.698730 -1.752031
H 3.759851 -2.094090 -0.935023
H 5.490931 -2.051484 -1.269794
H 6.354033 0.631578 1.246753
H 7.028981 -0.463113 0.040459
H 6.032481 0.895445 -0.470855
H -1.840675 2.756705 -0.716756
H -3.859034 -1.741174 0.247616
H -4.282546 2.567226 -0.134076


%chk=000291119-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291119

0 1
S 0.193332 0.693689 -1.102094
O 0.171684 2.228141 -1.770315
O -2.310103 -3.045555 0.012305
O -0.332682 -1.966042 -0.346357
O -6.438072 1.714420 0.309673
O -6.396586 -0.539200 0.674513
N -1.616274 -1.977719 -0.167390
N -5.832552 0.577255 0.363560
C 3.769325 0.047318 0.831838
C 5.073908 -0.716997 0.379161
C 3.389308 1.238464 -0.090169
C 2.530228 -0.874319 1.005328
C 0.968921 1.145670 0.752016
C 2.171754 2.033907 0.436109
C 1.308717 -0.104738 1.560500
C 5.422271 -1.820283 1.418632
C 4.912736 -1.378379 -1.016832
C 6.270565 0.276086 0.330011
C -1.638542 0.523914 -0.528679
C -2.317716 -0.671107 -0.194873
C -2.358862 1.731339 -0.606452
C -3.699704 -0.672375 0.090965
C -3.730384 1.765860 -0.297155
C -4.377925 0.556834 0.047198
H 4.003740 0.472640 1.836360
H 3.162111 0.864622 -1.109312
H 4.237710 1.937392 -0.196597
H 2.756065 -1.706981 1.694992
H 2.255674 -1.332117 0.035506
H 0.123767 1.723366 1.167226
H 2.438399 2.553022 1.381387
H 1.866714 2.815602 -0.286140
H 0.438098 -0.776847 1.655880
H 1.541810 0.253137 2.587801
H 4.676943 -2.635453 1.426757
H 6.402280 -2.274053 1.179578
H 5.485309 -1.400544 2.441327
H 4.695468 -0.633171 -1.803519
H 4.103227 -2.130918 -1.023992
H 5.848536 -1.895490 -1.300823
H 6.375589 0.823526 1.286840
H 7.213838 -0.273054 0.150260
H 6.165526 1.019374 -0.480318
H -1.804920 2.620131 -0.945098
H -4.221369 -1.601897 0.333668
H -4.306064 2.694831 -0.324875


