%chk=000257111.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257111

0 1
S -0.014783 1.459429 -0.028299
O 0.663233 2.275553 0.964592
O -0.009934 1.902266 -1.410218
O 0.176503 -2.189300 -1.293602
N -1.586849 -1.088852 -0.451859
C 0.734166 -0.192850 -0.010123
C 2.046009 -0.113020 -0.822688
C 0.956364 -0.607743 1.460046
C -0.163028 -1.218262 -0.657383
C -1.608761 1.131950 0.467021
C -2.254076 -0.010150 0.170092
C 3.139045 0.725382 -0.172942
C 1.632081 -1.965301 1.621449
C -3.700958 -0.249025 0.451036
H 1.819356 0.290112 -1.837137
H 2.423645 -1.145209 -0.995046
H -0.012607 -0.613083 2.001216
H 1.574431 0.174685 1.961150
H -2.117485 1.938650 0.997496
H -2.151964 -1.863569 -0.825117
H 2.791461 1.728648 0.122953
H 3.542456 0.252653 0.729754
H 3.975192 0.874703 -0.867344
H 1.084426 -2.768185 1.112326
H 2.647811 -1.964033 1.204380
H 1.714967 -2.239381 2.679661
H -3.898120 -1.230516 0.907251
H -4.303996 -0.183933 -0.470456
H -4.113885 0.505682 1.141091


%chk=000257111-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257111

0 1
S -0.004865 1.593848 0.026336
O 0.639457 2.455082 1.266963
O 0.061598 2.204664 -1.491792
O 0.155913 -2.196822 -1.387302
N -1.596435 -1.058202 -0.431587
C 0.794817 -0.280663 -0.015068
C 2.070055 -0.137249 -0.864768
C 0.981458 -0.645069 1.476138
C -0.220063 -1.214819 -0.687434
C -1.754714 1.207521 0.483479
C -2.307256 0.003872 0.170181
C 3.209900 0.669878 -0.208530
C 1.685536 -2.008584 1.672335
C -3.765118 -0.299781 0.444252
H 1.787079 0.336899 -1.825053
H 2.407645 -1.159720 -1.116557
H -0.000609 -0.655240 1.987962
H 1.568881 0.163033 1.949807
H -2.282285 2.040199 0.948278
H -2.154798 -1.826969 -0.818954
H 2.890177 1.690986 0.063741
H 3.595898 0.181633 0.704253
H 4.049501 0.757739 -0.920304
H 1.124591 -2.835840 1.202670
H 2.699947 -2.003951 1.237706
H 1.779580 -2.224611 2.751394
H -3.866966 -1.163914 1.126754
H -4.295686 -0.541631 -0.496723
H -4.268535 0.565013 0.901121


