%chk=000279996.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279996

0 1
S 3.457573 -1.920065 -0.054571
S 0.519208 0.895128 -1.315373
O 3.052398 -0.246501 -0.501698
O 1.077725 0.416451 0.270345
O 4.168212 -1.901257 1.182074
O 4.054082 -2.313829 -1.290028
O 1.345775 1.942584 -1.823472
O 0.358155 -0.350998 -2.018157
O 1.973393 2.668898 0.434613
O 4.131952 2.042245 0.902538
O -2.653495 -4.508932 -0.266807
O -4.854550 3.735270 1.361431
O -2.170627 -4.900951 1.806725
O -5.812179 2.547904 -0.176867
N 2.429073 0.402080 0.547309
N -1.909208 -4.470854 0.697421
N -4.837789 2.946913 0.433512
C 1.906127 -2.650306 0.152245
C -1.029221 1.478310 -0.797329
C 1.513835 -3.068131 1.430784
C -1.108415 2.384169 0.263902
C 1.061419 -2.819810 -0.947542
C -2.183594 1.032256 -1.449148
C -0.569807 -3.838776 0.504153
C -3.502750 2.426846 0.005452
C 0.268560 -3.671224 1.615400
C -2.355117 2.868414 0.673661
C -0.191965 -3.423190 -0.775229
C -3.435620 1.509908 -1.051053
C 2.999992 1.783924 0.618885
C 2.319541 4.102790 0.442852
C 2.481483 4.578423 1.866780
H 2.180736 -2.921124 2.291787
H -0.197328 2.711667 0.787680
H 1.352013 -2.465793 -1.949794
H -2.118073 0.303494 -2.267628
H -0.055652 -4.008466 2.606400
H -2.440022 3.579545 1.504153
H -0.867800 -3.557424 -1.628048
H -4.353516 1.175446 -1.550435
H 1.438450 4.520892 -0.077807
H 3.228969 4.240347 -0.170452
H 1.622729 4.310240 2.494669
H 3.374395 4.137901 2.339686
H 2.599835 5.669287 1.913282


%chk=000279996-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279996

0 1
S 3.318675 -1.604847 0.417262
S -0.826889 1.362281 -2.078411
O 2.413133 -0.233909 -1.319909
O 0.516973 0.558350 -0.277429
O 2.781835 -0.607652 1.610999
O 4.856446 -2.167231 0.407026
O 0.321698 2.406089 -2.616924
O -1.700765 0.473091 -3.142931
O 1.740471 2.842333 0.308683
O 3.742200 2.061444 -0.641025
O 0.159198 -7.636168 0.027638
O -4.427391 5.157399 2.297962
O -1.633958 -6.291571 0.457304
O -6.137774 4.199951 1.129169
N 1.770534 0.707268 -0.668168
N -0.375761 -6.486170 0.256455
N -4.886202 4.381872 1.375942
C 2.178138 -3.115065 0.368601
C -2.081659 2.295233 -1.008198
C 0.803801 -2.902145 0.574253
C -1.584904 3.125722 0.011141
C 2.758869 -4.368157 0.108901
C -3.447215 2.092432 -1.274797
C 0.524394 -5.297326 0.292355
C -3.898701 3.643663 0.536431
C -0.043866 -4.028177 0.540210
C -2.522830 3.821716 0.801283
C 1.905919 -5.490763 0.076512
C -4.379892 2.794105 -0.483129
C 2.550079 1.958964 -0.338494
C 2.431136 4.112846 0.767091
C 3.174254 3.870059 2.078996
H 0.408687 -1.897598 0.756065
H -0.508294 3.208465 0.188725
H 3.837842 -4.462468 -0.046572
H -3.765124 1.420066 -2.077381
H -1.121777 -3.938778 0.695840
H -2.211764 4.484081 1.612952
H 2.289317 -6.496804 -0.111084
H -5.456604 2.694212 -0.641936
H 1.593687 4.819254 0.874903
H 3.104220 4.438822 -0.044211
H 2.494155 3.486960 2.858029
H 4.002723 3.155468 1.943993
H 3.601887 4.826385 2.432178


