%chk=000001387.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001387

0 1
 S   -3.089300     -7.5000003E-02 -9.6699998E-02
 S    3.498700     -0.7207000      2.8800000E-02
 O   -3.737300       1.092900     -0.6766000    
 O   -3.326600      -1.392800     -0.6692000    
 O    1.819900      -2.785900     -7.3000002E-03
 N    2.776400      0.7828000      2.0600000E-02
 N   -3.444900     -0.1306000       1.573500    
 C    1.389800      0.7185000     -6.6999998E-03
 C   0.8728000     -0.5851000     -1.9400001E-02
 C   -1.367100      0.2118000     -6.0600001E-02
 C  -0.4846000     -0.8653000     -4.6000000E-02
 C   0.4957000       1.782800     -2.2000000E-02
 C  -0.8811000       1.526700     -4.8900001E-02
 C    1.952400      -1.576700     -2.4000001E-03
 C    3.525200       2.016900      3.2900002E-02
 H  -0.8352000      -1.891700     -4.9400002E-02
 H   0.8428000       2.811600     -1.1800000E-02
 H   -1.563100       2.373200     -5.3700000E-02
 H    4.606900       1.841600      5.7900000E-02
 H    3.271400       2.615300      0.9149000    
 H    3.311100       2.608600     -0.8640000    
 H   -3.969800      0.6557000       1.975600    
 H   -3.687000      -1.042800       1.979400    


%chk=000001387-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001387

0 1
S -3.134496 -0.089216 -0.053805
S 3.676526 -0.759663 -0.043305
O -3.839327 1.218127 -0.724067
O -3.371004 -1.610780 -0.585450
O 1.886059 -2.924187 -0.097212
N 2.820870 0.827622 0.004645
N -3.614973 -0.002549 1.724995
C 1.452388 0.712450 -0.001081
C 0.957081 -0.635589 -0.037803
C -1.288232 0.208360 -0.013513
C -0.435896 -0.893884 -0.045510
C 0.539201 1.813919 0.015975
C -0.835279 1.551602 0.012757
C 1.972092 -1.683974 -0.067074
C 3.573011 2.085320 0.013784
H -0.817816 -1.918790 -0.098481
H 0.902844 2.844486 0.028111
H -1.565878 2.367110 0.004590
H 4.650869 1.866634 0.048246
H 3.314693 2.687345 0.904958
H 3.367311 2.675486 -0.899157
H -4.457617 0.594477 1.783121
H -3.775324 -0.962505 2.074174


