%chk=000078292.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078292

1 1
 S   -1.585600       1.174800     -0.7042000    
 P   -2.795300      6.8599999E-02  0.6110000    
 O   -2.323200      -1.487300      0.5898000    
 O   -4.322100     -1.0500000E-02  5.8200002E-02
 O   -2.736300      0.6621000       1.994900    
 N    2.449000       1.705300     -0.2677000    
 C    1.094600       1.826700     -0.8600000    
 C    2.921000      0.2422000     -8.7499999E-02
 C    3.477600       2.405600      -1.175300    
 C    2.466800       2.363300       1.125000    
 C   7.9700001E-02   1.069800     -1.9099999E-02
 C    3.739900      4.4999998E-03  0.9551000    
 C    2.464600     -0.6461000     -0.9911000    
 C    4.164700      -1.314100       1.117600    
 C    2.889500      -1.964800     -0.8285000    
 C    3.739600      -2.298700      0.2260000    
 C   -2.324500      -2.184300     -0.6443000    
 C   -5.089200       1.173000     -8.0200002E-02
 C   -1.850100      -3.602600     -0.4101000    
 C   -6.460800      0.8125000     -0.6096000    
 H   0.8430000       2.896000     -0.8872000    
 H    1.114500       1.494400      -1.904700    
 H    3.457300       1.927800      -2.159700    
 H    3.190600       3.458400      -1.256000    
 H    4.470000       2.317900     -0.7223000    
 H    3.492700       2.632400       1.397100    
 H    1.903800       3.301100       1.054000    
 H    1.992400       1.715800       1.869300    
 H   8.1000002E-03   1.491600      0.9873000    
 H   0.2922000      6.6000000E-03  9.5700003E-02
 H    4.135600      0.7257000       1.655100    
 H    1.834200     -0.4247000      -1.840700    
 H    4.834200      -1.573600       1.932700    
 H    2.564900      -2.730700      -1.526900    
 H    4.073300      -3.324700      0.3503000    
 H   -3.337000      -2.192000      -1.059300    
 H   -1.655000      -1.690000      -1.353400    
 H   -5.175600       1.661700      0.8952000    
 H   -4.589300       1.855200     -0.7738000    
 H   -2.499900      -4.113200      0.3083000    
 H  -0.8409000      -3.605800      1.5100000E-02
 H   -1.841100      -4.171200      -1.344200    
 H   -6.966000      0.1180000      6.9700003E-02
 H   -6.379700      0.3077000      -1.578000    
 H   -7.081300       1.705200     -0.7274000    


%chk=000078292-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000078292

1 1
S -1.128019 -0.647628 -1.928419
P -2.457614 0.026883 -0.115386
O -2.713177 -1.357405 0.844761
O -3.989900 0.301511 -0.822017
O -1.753018 1.202696 0.703206
N 1.965883 1.238306 0.276738
C 0.898210 0.948875 -0.826353
C 3.260622 0.469696 0.024885
C 2.266831 2.745277 0.238022
C 1.337434 0.935345 1.643651
C 0.491600 -0.527318 -0.932472
C 3.884191 -0.257501 1.059724
C 3.846723 0.549950 -1.259775
C 5.104065 -0.923753 0.796123
C 5.062982 -0.120346 -1.509678
C 5.694904 -0.859852 -0.483610
C -3.537285 -2.515176 0.330778
C -4.336078 1.646971 -1.410617
C -3.573492 -3.529109 1.465862
C -5.797674 1.550241 -1.826366
H 0.027448 1.561886 -0.540225
H 1.304127 1.311240 -1.783382
H 2.639175 3.015591 -0.760277
H 1.338756 3.294541 0.460047
H 3.036845 2.968829 0.991175
H 1.955216 1.391393 2.430943
H 0.316747 1.350813 1.649736
H 1.277784 -0.150377 1.796718
H 0.307581 -0.997515 0.045235
H 1.220362 -1.137736 -1.487957
H 3.458628 -0.321517 2.063517
H 3.383399 1.119760 -2.071668
H 5.587736 -1.489620 1.598170
H 5.514388 -0.060953 -2.504680
H 6.638496 -1.377428 -0.680634
H -4.538940 -2.132114 0.071433
H -3.043195 -2.914291 -0.575246
H -4.168067 2.418011 -0.637600
H -3.669290 1.829145 -2.274163
H -4.037499 -3.094958 2.366547
H -2.559961 -3.880248 1.721732
H -4.174531 -4.402757 1.153099
H -6.442761 1.348638 -0.955560
H -5.945756 0.752376 -2.572669
H -6.112972 2.509229 -2.277147


