%chk=000127991.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000127991

0 1
S -2.477374 1.732201 0.066884
O -2.253316 0.225284 -0.686306
O -2.536074 -2.150694 0.502575
O -3.958537 1.880629 -0.664974
O -2.636091 1.571270 1.466258
O -1.564087 2.663257 -0.498894
N 4.640178 0.921249 -0.087456
C 2.647696 -0.295834 -0.884327
C 1.283750 -0.805200 -0.516901
C 3.232956 0.552928 0.260604
C 0.151929 -0.010463 -0.754575
C 1.134127 -2.071197 0.072937
C -1.109601 -0.489181 -0.397210
C -1.257888 -1.766170 0.194008
C -0.126032 -2.558661 0.425760
C 5.277041 1.725121 0.992830
H 3.340358 -1.135867 -1.110056
H 2.604027 0.296113 -1.821208
H 3.252989 -0.045573 1.198771
H 2.579683 1.430394 0.457228
H 0.248080 0.975798 -1.217390
H 2.015719 -2.686161 0.260949
H -0.225800 -3.541906 0.878768
H 4.645759 1.468128 -0.956395
H 5.346178 1.118783 1.911268
H 4.761293 2.664601 1.241299
H 6.309378 1.965332 0.688808
H -2.550736 -3.042317 0.937167
H -4.298005 1.065534 -1.099024


%chk=000127991-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127991

0 1
S -2.927824 1.809228 0.118568
O -1.980971 0.559469 -1.410811
O -2.699914 -1.602706 0.138007
O -4.362826 0.689611 0.253707
O -1.993357 1.663212 1.439648
O -3.532238 3.246622 -0.284880
N 4.796935 0.826131 0.038409
C 2.860315 -0.439376 -0.875520
C 1.396282 -0.782670 -0.666433
C 3.372545 0.525288 0.227619
C 0.375377 0.075842 -1.114692
C 1.024245 -1.951568 0.059791
C -1.006982 -0.212697 -0.887255
C -1.337380 -1.390932 -0.118466
C -0.327524 -2.257493 0.335807
C 5.443542 1.598171 1.112372
H 3.490749 -1.346532 -0.858955
H 3.002800 0.040894 -1.863918
H 3.248899 0.046444 1.219501
H 2.722846 1.437042 0.237908
H 0.604148 0.984197 -1.683238
H 1.807338 -2.628250 0.421009
H -0.580496 -3.159515 0.906870
H 5.008026 1.181939 -0.901951
H 5.400893 1.024868 2.056814
H 4.975769 2.593447 1.302651
H 6.507658 1.758625 0.866533
H -2.850692 -2.403862 0.697904
H -3.960563 -0.228032 0.094397


