%chk=000100632.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100632

0 1
 S    3.529900      -1.073100      4.5100000E-02
 P    5.206500      0.1810000      6.4000003E-02
 O    6.542400     -0.7330000     -4.6300001E-02
 O    5.268900       1.013600      -1.327200    
 O    5.211500       1.072700       1.276000    
 N   -1.648900     -0.5541000     -5.2000000E-03
 N   -6.572100     -0.3248000      3.7000000E-03
 C   -2.803900      0.3355000     -1.7999999E-02
 C  -0.4071000      0.2063000     -1.2100000E-02
 C   -4.123600     -0.4390000       0.000000    
 C   0.7952000     -0.7382000      1.0800000E-02
 C   -5.351300      0.4730000     -3.1900000E-02
 C    2.102900      4.9800001E-02  2.5699999E-02
 C   -7.750300      0.5303000      1.5400000E-02
 H   -2.773700      0.9958000      0.8575000    
 H   -2.777300      0.9704000     -0.9124000    
 H  -0.3539000      0.8397000     -0.9061000    
 H  -0.3643000      0.8612000      0.8667000    
 H   -4.156300      -1.119200     -0.8617000    
 H   -4.157100      -1.067300      0.9003000    
 H   0.7625000      -1.392300     -0.8704000    
 H   0.7365000      -1.381600      0.8984000    
 H   -1.681600      -1.172900     -0.8147000    
 H   -5.325500       1.079700     -0.9449000    
 H   -5.316500       1.154100      0.8272000    
 H    2.177100      0.6882000     -0.8605000    
 H    2.154600      0.6915000      0.9111000    
 H   -6.573800     -0.9116000      0.8376000    
 H   -7.771400       1.174500      0.9005000    
 H   -8.651100     -9.0999998E-02  3.0600000E-02
 H   -7.796700       1.154100     -0.8832000    
 H    7.417600     -0.3050000      6.7800000E-02
 H    5.936400       1.726200      -1.421000    


%chk=000100632-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100632

0 1
S 3.836091 -0.333110 -1.647437
P 4.517308 0.105229 0.466259
O 4.666905 -1.361364 1.396283
O 6.202926 0.297297 0.204597
O 3.686728 1.250769 1.196558
N -1.397326 -0.144255 -0.514037
N -6.163209 -0.583261 0.830450
C -2.675608 0.585169 -0.354845
C -0.270735 0.679001 -1.000172
C -3.782767 -0.356806 0.154754
C 1.033870 -0.148546 -1.014332
C -5.135176 0.357502 0.340626
C 2.214142 0.670358 -1.551220
C -7.502342 0.007786 1.007491
H -2.512192 1.399467 0.379482
H -3.015607 1.074632 -1.304127
H -0.451632 1.110834 -2.019245
H -0.153113 1.537113 -0.309435
H -3.927430 -1.196248 -0.554451
H -3.450285 -0.799929 1.114976
H 0.893344 -1.055416 -1.635929
H 1.237095 -0.487864 0.017793
H -1.521966 -0.986809 -1.094632
H -5.480174 0.759711 -0.633638
H -4.997367 1.241506 1.017745
H 2.058087 1.002400 -2.592860
H 2.424840 1.549348 -0.917737
H -5.843943 -1.076388 1.675271
H -7.531134 0.894286 1.689169
H -8.196585 -0.753794 1.404887
H -7.893736 0.334247 0.025689
H 3.854143 -1.628288 1.896503
H 6.762445 -0.050076 0.948361


