%chk=000245765.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245765

0 1
S -0.572841 1.577464 -0.842569
O -4.931438 -1.280841 0.198115
N -2.679213 0.463121 0.201344
C -2.503702 -1.018592 0.058847
C -3.882407 0.766213 1.044899
C -3.768467 -1.591835 -0.597844
C -5.113079 0.139534 0.367673
C -1.459979 1.117046 0.713010
C 1.114258 1.401645 -0.352491
C 1.723849 0.109305 -0.297164
C 3.100217 0.035687 0.054947
C 1.825180 2.546090 -0.093246
C 1.022252 -1.103884 -0.583460
C 3.826431 1.239991 0.324171
C 3.206874 2.461786 0.246883
C 3.739568 -1.242636 0.128668
C 1.661131 -2.316361 -0.508906
C 3.036880 -2.388953 -0.144661
H -2.316588 -1.527856 1.028361
H -1.614357 -1.206279 -0.593992
H -4.007199 1.868812 1.100296
H -3.789239 0.385326 2.084198
H -3.914252 -1.196542 -1.619071
H -3.773640 -2.695323 -0.605927
H -6.011769 0.190374 1.006443
H -5.312296 0.597005 -0.617965
H -0.806702 0.493466 1.354124
H -1.687098 2.051151 1.265351
H 1.357095 3.530970 -0.142783
H -0.035281 -1.054428 -0.875288
H 4.880947 1.164590 0.588053
H 3.754042 3.382427 0.444176
H 4.792676 -1.284455 0.403123
H 1.130530 -3.241133 -0.730704
H 3.515216 -3.365682 -0.092310


%chk=000245765-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245765

0 1
S -0.943414 1.057803 -0.669291
O -4.955748 -0.456277 -0.601233
N -2.791486 -0.145104 1.303783
C -3.107506 -1.466562 0.711402
C -3.953361 0.774905 1.302925
C -3.760437 -1.319046 -0.683790
C -4.586706 0.883393 -0.104332
C -1.486209 0.370262 1.209796
C 0.867900 1.188522 -0.378324
C 1.713718 0.014323 -0.387926
C 3.132969 0.176708 -0.120373
C 1.425308 2.452230 -0.140710
C 1.214922 -1.303462 -0.656055
C 3.662795 1.487231 0.120290
C 2.825970 2.604222 0.101688
C 3.977781 -0.983317 -0.110245
C 2.064170 -2.412897 -0.642802
C 3.457967 -2.254495 -0.360812
H -3.816118 -1.987544 1.384880
H -2.182324 -2.067154 0.646092
H -3.632349 1.768856 1.662714
H -4.712210 0.376016 2.004487
H -3.033874 -0.890239 -1.405185
H -4.127662 -2.290360 -1.055052
H -5.530056 1.453585 -0.072489
H -3.882293 1.370151 -0.812086
H -0.714601 -0.390829 1.399194
H -1.340481 1.266069 1.830070
H 0.771841 3.330391 -0.142296
H 0.151593 -1.408091 -0.901169
H 4.735911 1.598100 0.316728
H 3.233409 3.605340 0.280252
H 5.047190 -0.852910 0.095584
H 1.666789 -3.410827 -0.859711
H 4.114203 -3.131787 -0.351705


