%chk=000029997.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029997

1 1
 S   0.8992000       1.312800      -1.522500    
 P    2.180700      0.7492000      3.9799999E-02
 O    1.818700     -0.7421000      0.5766000    
 O    3.682300      0.5631000     -0.5558000    
 O    2.131500       1.765800       1.150900    
 N   -2.765600      0.1226000     -2.2000000E-03
 C   -1.382600      1.1400000E-02 -0.6275000    
 C   -3.756400      0.6173000      -1.046300    
 C   -3.203900      -1.243400      0.5058000    
 C   -2.719900       1.105100       1.159300    
 C  -0.7529000       1.387700     -0.7670000    
 C   -5.129000      0.7256000     -0.4189000    
 C   -3.247400      -2.215400     -0.6530000    
 C   -1.733800      0.6081000       2.193700    
 C    1.811900      -1.837800     -0.3221000    
 C    4.713600      0.1315000      0.3155000    
 C    1.445300      -3.095400      0.4365000    
 C    6.008300      3.4000002E-02 -0.4629000    
 H  -0.7794000     -0.6575000     -8.8999998E-03
 H   -1.492000     -0.4417000      -1.619700    
 H   -3.438700       1.612800      -1.373000    
 H   -3.741800     -3.3399999E-02  -1.924400    
 H   -2.448700      -1.613300       1.206400    
 H   -4.149100      -1.171200       1.049300    
 H   -3.698700       1.114400       1.648000    
 H   -2.528400       2.120600      0.8007000    
 H  -0.5871000       1.909900      0.1751000    
 H   -1.349500       2.039100      -1.410700    
 H   -5.822400       1.073100      -1.195800    
 H   -5.203000       1.472600      0.3742000    
 H   -5.545100     -0.2225000     -7.3299997E-02
 H   -3.488300      -3.209000     -0.2543000    
 H   -2.296000      -2.335500      -1.176200    
 H   -4.036200      -1.998100      -1.377100    
 H   -1.616900       1.390200       2.954400    
 H  -0.7270000      0.3950000       1.831700    
 H   -2.100800     -0.2658000       2.740600    
 H    1.088200      -1.663900      -1.122400    
 H    2.802800      -1.950700     -0.7716000    
 H    4.818900      0.8531000       1.131700    
 H    4.458600     -0.8435000      0.7409000    
 H    2.158800      -3.278800       1.246700    
 H   0.4578000      -2.992000      0.8988000    
 H    1.434400      -3.963700     -0.2281000    
 H    5.906800     -0.6746000      -1.291600    
 H    6.268100       1.002600     -0.9024000    
 H    6.828700     -0.2925000      0.1823000    


%chk=000029997-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029997

1 1
S 0.765676 0.152526 -1.971262
P 1.922069 -0.345289 -0.016927
O 2.034718 -2.060754 0.069034
O 3.477794 0.249570 -0.435536
O 1.190408 0.237319 1.274132
N -2.913063 0.361948 0.186477
C -1.588431 -0.133963 -0.461212
C -3.817878 0.956038 -0.926126
C -3.596314 -0.847125 0.879084
C -2.643010 1.462018 1.254168
C -0.690301 0.960688 -1.056478
C -5.241227 1.336836 -0.498909
C -4.047974 -1.976095 -0.055366
C -1.728596 1.053417 2.415438
C 2.658111 -2.833925 -1.062844
C 4.508999 0.465255 0.655539
C 2.744021 -4.278824 -0.586778
C 5.741048 1.009427 -0.053423
H -1.036482 -0.668816 0.329174
H -1.878181 -0.852343 -1.244676
H -3.286668 1.845496 -1.304007
H -3.842385 0.206273 -1.734407
H -2.863943 -1.225526 1.610166
H -4.451123 -0.433080 1.439555
H -3.636476 1.758722 1.629088
H -2.218297 2.318187 0.702962
H -0.265978 1.618761 -0.283573
H -1.179132 1.561105 -1.840698
H -5.759403 1.737738 -1.388049
H -5.267454 2.128433 0.267756
H -5.831716 0.476038 -0.144185
H -4.519878 -2.755195 0.569123
H -3.210534 -2.458775 -0.585536
H -4.802399 -1.655352 -0.792758
H -1.591561 1.947921 3.049858
H -0.722759 0.731170 2.093775
H -2.176452 0.278180 3.059333
H 2.007372 -2.728179 -1.952310
H 3.653478 -2.406423 -1.282220
H 4.091261 1.181211 1.385440
H 4.702847 -0.502794 1.153828
H 3.379883 -4.362281 0.309822
H 1.744218 -4.678072 -0.348227
H 3.185514 -4.902185 -1.385877
H 6.124903 0.289334 -0.794990
H 5.512557 1.957939 -0.566639
H 6.536739 1.199249 0.690460


