%chk=000206254.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206254

0 1
S 0.376292 2.159153 -0.101101
O 0.222825 2.039670 -1.786814
O -0.639857 3.117023 0.248309
O 1.761586 2.411305 0.163302
N -0.076056 0.612468 0.380818
C -1.537183 0.282850 0.310715
C 0.906343 -0.512071 0.267456
C -1.939840 -0.285973 -1.066523
C -1.905977 -0.700152 1.441955
C 1.571179 -0.586054 -1.123328
C 1.976528 -0.372152 1.370464
C -3.444774 -0.579473 -1.093571
C -3.409748 -1.000623 1.407557
C 2.522898 -1.788512 -1.177724
C 2.936045 -1.568048 1.318042
C -3.845648 -1.537860 0.037087
C 3.581678 -1.706497 -0.068342
H -2.102476 1.242924 0.487986
H 0.337126 -1.467533 0.443157
H -1.373415 -1.210945 -1.284181
H -1.669797 0.427659 -1.869911
H -1.620191 -0.270718 2.420933
H -1.326878 -1.639350 1.341106
H 2.143139 0.341266 -1.338706
H 0.809284 -0.656064 -1.921099
H 1.497501 -0.301899 2.363511
H 2.547371 0.573936 1.240444
H -3.723578 -1.012826 -2.072534
H -4.015571 0.365603 -1.006075
H -3.982463 -0.084267 1.651159
H -3.660824 -1.733549 2.197423
H 3.017470 -1.825910 -2.166995
H 1.951130 -2.731349 -1.086263
H 2.398313 -2.499252 1.578798
H 3.722517 -1.444482 2.086876
H -4.940260 -1.696105 0.026005
H -3.390873 -2.531945 -0.136802
H 4.229071 -2.601976 -0.096370
H 4.246706 -0.839706 -0.254447
H -0.090395 2.835636 -2.238717


%chk=000206254-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206254

0 1
S 0.326408 2.235778 -0.078828
O 0.056761 2.184949 -1.965077
O -0.801799 3.240499 0.493022
O 1.887391 2.528373 0.196788
N -0.087789 0.563139 0.384373
C -1.546545 0.241425 0.264669
C 0.962056 -0.495631 0.212920
C -1.937358 -0.458900 -1.061997
C -1.982292 -0.585927 1.502522
C 1.684856 -0.504064 -1.161714
C 1.973617 -0.487673 1.384977
C -3.460703 -0.737246 -1.095010
C -3.505010 -0.866573 1.452100
C 2.641987 -1.717345 -1.255300
C 2.928253 -1.702759 1.279179
C -3.912977 -1.563195 0.132474
C 3.655524 -1.734586 -0.085980
H -2.076389 1.213665 0.317396
H 0.376181 -1.437164 0.280041
H -1.392780 -1.421405 -1.150052
H -1.635305 0.177315 -1.914360
H -1.712718 -0.034519 2.421406
H -1.434039 -1.549539 1.519823
H 2.266200 0.430721 -1.271646
H 0.943070 -0.524215 -1.979984
H 1.421344 -0.506542 2.343049
H 2.555180 0.452498 1.356493
H -3.721892 -1.263569 -2.032898
H -4.008266 0.227561 -1.108428
H -4.054898 0.092158 1.544928
H -3.793794 -1.486262 2.322581
H 3.174431 -1.689357 -2.225168
H 2.052657 -2.658556 -1.242662
H 2.349340 -2.642070 1.407286
H 3.662517 -1.667331 2.106412
H -5.009015 -1.715443 0.107122
H -3.448113 -2.570026 0.088870
H 4.301869 -2.630805 -0.154087
H 4.319214 -0.849814 -0.165323
H 0.042023 3.136635 -2.276320


