%chk=000001989.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001989

0 1
 S   0.6028000      -2.572900     -0.2386000    
 O   -1.365900      -1.104400       1.662600    
 O   0.5443000      -3.188300       1.073200    
 O   0.9369000      -3.363600      -1.407500    
 O    5.128400       2.338100      -1.033600    
 N   -2.775900     -0.4787000     -5.9099998E-02
 N  -0.8508000      -1.721900     -0.5304000    
 C   -3.742200      0.2290000      0.7511000    
 C   -3.337800       1.695600      0.9350000    
 C   -5.150200      0.1112000      0.1582000    
 C   -3.507600       2.514100     -0.3448000    
 C   -5.317000      0.9323000      -1.120600    
 C   -4.919400       2.390000     -0.9096000    
 C   -1.657300      -1.092400      0.4703000    
 C    1.765500      -1.243400     -0.1714000    
 C    2.028600     -0.6369000       1.044800    
 C    2.390700     -0.8326000      -1.336000    
 C    3.584500      0.8404000     -6.5800004E-02
 C    2.945200      0.4132000       1.097900    
 C    3.307400      0.2175000      -1.282700    
 C    4.540800       1.934500     -1.0200000E-02
 C    4.849200       2.619300       1.317000    
 H   -3.748800     -0.2477000       1.739400    
 H   -2.298400       1.769100       1.276900    
 H   -3.961200       2.140200       1.721400    
 H   -5.879600      0.4620000      0.8994000    
 H   -5.388900     -0.9386000     -5.0600000E-02
 H   -2.781900       2.180200      -1.096400    
 H   -3.286500       3.567400     -0.1379000    
 H   -6.361000      0.8832000      -1.450900    
 H   -4.713300      0.5001000      -1.927100    
 H   -5.629600       2.864900     -0.2214000    
 H   -4.985800       2.931800      -1.859700    
 H   -2.893800     -0.4893000      -1.067400    
 H   -1.189200      -1.698200      -1.500700    
 H    1.538300     -0.9526000       1.960400    
 H    2.182600      -1.298600      -2.294100    
 H    3.130700      0.8704000       2.064900    
 H    3.791300      0.5336000      -2.203100    
 H    5.277900       1.902200       2.021900    
 H    3.945800       3.082100       1.722600    
 H    5.587300       3.410000       1.148600    


%chk=000001989-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001989

0 1
S 0.604153 -2.429278 -0.571682
O -0.989859 -0.441161 1.199488
O 0.461640 -3.353981 0.744448
O 0.858790 -3.087083 -2.038052
O 5.716784 2.150925 -0.687524
N -2.906902 -0.425341 -0.143560
N -0.946269 -1.487704 -0.894255
C -3.691656 0.431793 0.782633
C -3.386686 1.939340 0.564940
C -5.201425 0.140348 0.597790
C -3.926246 2.456213 -0.788523
C -5.750701 0.665613 -0.752889
C -5.440624 2.170954 -0.939016
C -1.596582 -0.764878 0.133641
C 1.909495 -1.093110 -0.275234
C 2.054265 -0.568452 1.017129
C 2.709480 -0.738663 -1.374915
C 3.907418 0.789796 0.132798
C 3.074572 0.387303 1.211405
C 3.718667 0.218935 -1.155613
C 5.004918 1.814190 0.302032
C 5.233847 2.428259 1.676475
H -3.374590 0.149577 1.803056
H -2.296340 2.101035 0.647151
H -3.860890 2.505502 1.392527
H -5.742824 0.646350 1.420912
H -5.390616 -0.944791 0.707557
H -3.373409 1.967441 -1.617053
H -3.731737 3.541729 -0.879823
H -6.841771 0.487519 -0.801746
H -5.313473 0.095153 -1.601247
H -5.996489 2.749689 -0.172577
H -5.801910 2.516657 -1.926518
H -3.352756 -0.734984 -1.007876
H -1.405943 -1.830085 -1.747103
H 1.384223 -0.880387 1.821700
H 2.552615 -1.209870 -2.350350
H 3.209718 0.817813 2.208078
H 4.379641 0.542538 -1.965971
H 5.499915 1.651918 2.418256
H 4.322363 2.936108 2.043250
H 6.053295 3.159368 1.612263


