%chk=000002662.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002662

0 1
 S    4.767600      -1.619500     -5.3700000E-02
 F   -5.477000      -1.141400      5.9000000E-02
 F   -4.440300      -2.719800      -1.018100    
 F   -4.390500      -2.677100       1.160900    
 O    5.070100      -2.506000      -1.168600    
 O    5.459300     -0.3433000      6.4000003E-02
 N   -1.063700     -0.6091000      7.9999998E-04
 N   -1.914600      -1.649100      2.3200000E-02
 N    4.961100      -2.484600       1.406800    
 C   -1.679000      0.6098000     -6.8999999E-03
 C   0.3119000     -0.8476000     -1.1900000E-02
 C  -0.9888000       1.876300     -2.9999999E-02
 C   -3.028400      0.3453000      1.1300000E-02
 C   -3.113300      -1.059900      2.9500000E-02
 C    1.171200      7.3600002E-02  0.5713000    
 C   0.8004000      -2.002100     -0.6081000    
 C    3.047300      -1.321200     -3.8300000E-02
 C  -0.6418000       2.503300       1.166700    
 C  -0.6685000       2.474000      -1.248900    
 C    2.545500     -0.1643000      0.5581000    
 C    2.174800      -2.240100     -0.6213000    
 C   0.3461000       4.325500     -7.4400000E-02
 C   2.5699999E-02   3.727800       1.144500    
 C  -8.9999998E-04   3.698500      -1.271100    
 C   -4.333300      -1.884200      5.4400001E-02
 C    1.059100       5.635100     -9.8899998E-02
 H   -3.834000       1.066000      1.1700000E-02
 H   0.8822000      0.8828000       1.208600    
 H   0.1471000      -2.731600      -1.079600    
 H  -0.9005000       2.062000       2.127100    
 H  -0.9308000       1.997500      -2.190600    
 H    3.204900      0.5406000       1.057100    
 H    2.543500      -3.149400      -1.087500    
 H   0.2889000       4.207400       2.083600    
 H   0.2451000       4.153200      -2.227100    
 H   0.7762000       6.222400     -0.9791000    
 H   0.8101000       6.237600      0.7813000    
 H    2.141400       5.473000     -0.1181000    
 H    5.172400      -3.487900       1.342300    
 H    5.436400      -2.008900       2.183400    


%chk=000002662-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002662

0 1
S 4.931986 -1.989702 -0.191782
F -5.472870 -1.077658 0.399499
F -4.534222 -2.616724 -0.985148
F -4.319635 -2.839313 1.255462
O 5.132777 -2.948929 -1.493036
O 5.786376 -0.626647 0.058541
N -0.981190 -0.567270 0.028997
N -1.872256 -1.638339 0.022656
N 5.195203 -2.999203 1.322486
C -1.634103 0.673118 0.161867
C 0.420381 -0.880659 -0.016203
C -0.999054 2.004070 0.086926
C -3.002085 0.369772 0.270340
C -3.090796 -1.046257 0.173100
C 1.355713 -0.107812 0.714926
C 0.832515 -2.003001 -0.774727
C 3.103529 -1.556959 -0.098622
C -1.409694 3.026545 0.982046
C -0.034174 2.321336 -0.908386
C 2.723090 -0.445577 0.668723
C 2.197574 -2.349277 -0.820791
C 0.112467 4.642520 -0.088191
C -0.861832 4.323187 0.892261
C 0.510236 3.617427 -0.988166
C -4.322618 -1.884898 0.209942
C 0.724708 6.028509 -0.167139
H -3.821426 1.078381 0.350431
H 1.024733 0.739335 1.319654
H 0.083022 -2.592249 -1.308096
H -2.151081 2.798600 1.756218
H 0.274219 1.560979 -1.633849
H 3.471421 0.143930 1.206653
H 2.552966 -3.192513 -1.421120
H -1.192033 5.096712 1.595389
H 1.248586 3.841914 -1.766924
H 0.864782 6.349565 -1.214630
H 0.096231 6.780015 0.340616
H 1.721202 6.049138 0.315104
H 5.289349 -3.992208 1.052390
H 6.028901 -2.625259 1.805984


