%chk=000022864.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022864

0 1
 S    2.699400       2.527200      1.3000000E-03
 O  -7.8699999E-02   2.465400     -1.8000000E-03
 O  -0.9104000      -2.810700     -7.9999998E-04
 N    4.655700      0.3023000      6.9999998E-04
 C   0.9187000      0.2939000     -3.9999999E-04
 C   0.6809000      -1.082200     -3.9999999E-04
 C   -1.590300      0.7272000     -3.9999999E-04
 C   -1.828000     -0.6488000      9.9999997E-05
 C  -0.2084000       1.248800     -1.1000000E-03
 C  -0.7010000      -1.603800     -5.0000002E-04
 C    2.233200      0.7754000      9.9999997E-05
 C    1.757900      -1.976700     -9.9999997E-05
 C    3.303500     -0.1195000      3.9999999E-04
 C   -2.667300       1.621900     -3.0000001E-04
 C   -3.142700      -1.130300      7.9999998E-04
 C    3.066400      -1.492600      1.9999999E-04
 C   -3.975800       1.137800      6.9999998E-04
 C   -4.213000     -0.2353000      1.3000000E-03
 H    1.599300      -3.051800     -9.9999997E-05
 H   -2.514700       2.697700     -6.9999998E-04
 H   -3.354200      -2.196200      1.2000001E-03
 H    3.890800      -2.201700      3.9999999E-04
 H   -4.810900       1.832400      1.0000000E-03
 H   -5.232700     -0.6095000      2.0000001E-03
 H    5.402900     -0.3792000      1.6000000E-03
 H    4.870800       1.290500      1.7000000E-03
 H    1.799000       2.917300      0.9153000    


%chk=000022864-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000022864

0 1
S 2.805627 2.532078 0.151597
O -0.047274 2.574880 0.132850
O -0.915215 -2.896216 -0.085918
N 4.708556 0.272214 0.077324
C 0.959624 0.338775 0.053501
C 0.688306 -1.087493 -0.003606
C -1.549641 0.744268 0.051307
C -1.808925 -0.658214 -0.005213
C -0.170894 1.235111 0.080185
C -0.682104 -1.637641 -0.035164
C 2.328137 0.817985 0.081634
C 1.765687 -1.991848 -0.030560
C 3.407336 -0.171131 0.051162
C -2.637801 1.661072 0.078990
C -3.144176 -1.123656 -0.033212
C 3.100214 -1.553111 -0.004046
C -3.961120 1.185506 0.050767
C -4.216551 -0.209999 -0.005481
H 1.525019 -3.058818 -0.073560
H -2.422990 2.731985 0.122190
H -3.306409 -2.205076 -0.076715
H 3.918755 -2.281712 -0.026083
H -4.795931 1.893734 0.072192
H -5.248845 -0.575427 -0.027286
H 5.487554 -0.380552 0.057035
H 4.882075 1.280079 0.116925
H 0.981389 2.862706 0.151385


