%chk=000002274.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002274

0 1
 S   -5.160700      2.5900001E-02  0.7771000    
 S    2.287000       4.550200     -5.9200000E-02
 O   -3.459100       2.124300      -1.013000    
 O   -5.241700       1.406400       1.653600    
 O   -5.268900      -1.082000       1.721400    
 O   -6.141900      0.1448000     -0.2968000    
 O   0.6912000      0.2589000      -2.476100    
 O    1.885200      -1.553000     -0.2527000    
 O    2.681600      -4.963500      0.4733000    
 O    1.109800      -3.990300     -0.8309000    
 N   -3.611300      3.9400000E-02  0.1162000    
 N  -0.6406000      0.2957000     -0.5452000    
 N    2.412700     -0.3041000      0.1037000    
 N    3.245200       2.260100      0.6619000    
 N    4.415800       4.143700       1.481700    
 C   -2.812900      -1.050500     -0.4853000    
 C   -1.936800      1.8700000E-02  -1.172400    
 C   -3.061500       1.014500     -0.7450000    
 C   -2.189800      -1.910200      0.6013000    
 C   0.5271000      0.3839000      -1.273100    
 C    1.728500      0.6730000     -0.4107000    
 C    2.687700      -2.557900      0.3477000    
 C    2.149100       2.048500     -0.1256000    
 C    2.621500      -2.373800       1.860900    
 C    4.107400      -2.414700     -0.1928000    
 C    1.490900       3.136400     -0.6147000    
 C    2.067600      -3.883500     -7.4199997E-02
 C    3.417000       3.559000      0.7688000    
 H   -3.399800      -1.643800      -1.198000    
 H   -1.873400     -0.1049000      -2.258900    
 H   -1.736300      -1.315600       1.401300    
 H   -2.942900      -2.561200       1.057500    
 H   -1.414100      -2.556400      0.1773000    
 H  -0.5857000      0.4466000      0.4594000    
 H   -5.082600       2.236500       1.145800    
 H    1.580300      -2.356700       2.204800    
 H    3.082800      -1.437900       2.194400    
 H    3.131300      -3.189900       2.384600    
 H    4.590800      -1.485400      0.1278000    
 H    4.743200      -3.242900      0.1392000    
 H    4.108000      -2.414100      -1.289300    
 H   0.6160000       3.199500      -1.246400    
 H    2.265400      -5.804700      0.1877000    
 H    5.104300       3.594900       1.986200    
 H    4.512200       5.152200       1.538900    


%chk=000002274-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000002274

0 1
S -5.219493 -1.840635 0.131045
S 3.667790 4.719680 -1.183680
O -3.234389 0.232990 1.994043
O -5.130019 -1.799898 1.939869
O -4.953162 -3.339153 -0.365099
O -6.497270 -1.037249 -0.411472
O -0.277752 2.516204 -1.016037
O 1.375699 -0.852269 0.665454
O 1.367037 -4.155310 2.107561
O -0.241343 -2.840544 1.074833
N -3.691588 -0.811320 -0.137117
N -0.671072 0.413102 -0.129984
N 2.281458 0.242216 0.393837
N 3.960142 2.247847 -0.163384
N 6.023387 3.449923 -0.309786
C -2.811604 -0.518942 -1.335466
C -2.086315 0.526754 -0.359684
C -3.038816 0.027746 0.772203
C -1.995057 -1.703788 -1.839890
C 0.177174 1.461066 -0.468552
C 1.664154 1.297313 -0.148192
C 2.088580 -1.991480 1.324315
C 2.583821 2.418502 -0.449206
C 2.627560 -1.549245 2.698947
C 3.190109 -2.536863 0.393569
C 2.235153 3.653631 -0.991498
C 0.934341 -2.998437 1.468798
C 4.665803 3.315961 -0.471890
H -3.380611 -0.024661 -2.141126
H -2.315713 1.567995 -0.647815
H -1.478936 -2.219347 -1.012940
H -2.647650 -2.433116 -2.350340
H -1.241502 -1.349029 -2.565838
H -0.263510 -0.435842 0.292889
H -4.551048 -0.999971 2.226059
H 1.816624 -1.149907 3.331836
H 3.378804 -0.756815 2.546269
H 3.093244 -2.404426 3.215257
H 3.931381 -1.739481 0.220235
H 3.683042 -3.404620 0.861601
H 2.770298 -2.846105 -0.578994
H 1.246873 3.992214 -1.285056
H 0.610248 -4.796510 2.195907
H 6.539584 2.666349 0.083867
H 6.514145 4.301572 -0.563148


