%chk=000077128.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077128

0 1
 S    2.370200     -0.6540000       2.172800    
 P    2.434700     -0.3979000      0.2405000    
 O    1.202800      0.4111000     -0.4352000    
 O  -0.6930000       2.439600     -0.5676000    
 O    3.708500      0.4461000     -0.3228000    
 O    2.514000      -1.732300     -0.6871000    
 N   -5.348600      -1.031400      0.2483000    
 C  -0.1295000      0.1288000     -0.2969000    
 C   -1.074700       1.148000     -0.3642000    
 C  -0.5265000      -1.188900     -8.9599997E-02
 C   -2.429400      0.8466000     -0.2230000    
 C   -2.832500     -0.4724000     -1.4900000E-02
 C   -1.881100      -1.490200      5.1800001E-02
 C    3.831200       1.825500     -1.8800000E-02
 C    3.491300      -2.722200     -0.4148000    
 C  -0.4174000       3.224300      0.5911000    
 C   -4.220200     -0.7807000      0.1303000    
 H   0.1800000      -2.008800     -3.9900001E-02
 H   -3.165300       1.646200     -0.2771000    
 H   -2.180300      -2.523400      0.2118000    
 H    4.727300       2.211900     -0.5108000    
 H    3.931400       1.967600       1.059900    
 H    2.961000       2.373900     -0.3883000    
 H    3.579300      -3.374300      -1.287300    
 H    3.181500      -3.321800      0.4446000    
 H    4.461900      -2.258800     -0.2194000    
 H   0.4068000       2.788000       1.164400    
 H   -1.309900       3.307700       1.219200    
 H  -0.1240000       4.225800      0.2648000    


%chk=000077128-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000077128

0 1
S 2.441476 0.117600 2.291973
P 2.342105 -0.070745 0.239297
O 0.952132 0.596570 -0.597692
O -1.178021 2.436251 0.429463
O 3.581502 0.673866 -0.691918
O 2.356904 -1.648952 -0.446143
N -5.587084 -1.427022 0.068774
C -0.380861 0.164390 -0.357001
C -1.360050 1.097683 0.099653
C -0.750934 -1.160817 -0.688642
C -2.705637 0.662052 0.195494
C -3.072779 -0.662159 -0.136442
C -2.083122 -1.586387 -0.578092
C 4.106774 1.996374 -0.280104
C 3.328821 -2.641031 0.080872
C 0.147647 2.978686 0.780350
C -4.447559 -1.075535 -0.022973
H 0.032196 -1.838866 -1.041046
H -3.449933 1.383709 0.542707
H -2.364953 -2.609980 -0.838524
H 5.027456 2.121800 -0.867902
H 4.333600 2.012846 0.801739
H 3.382274 2.789789 -0.534954
H 2.999037 -3.600917 -0.341939
H 3.294008 -2.674020 1.184835
H 4.345091 -2.393956 -0.269785
H 0.793609 3.043599 -0.111295
H 0.636019 2.365161 1.559653
H -0.070215 3.984010 1.171441


