%chk=000101105.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101105

0 1
 S   0.2203000      -2.353400     -0.4077000    
 O   0.4637000       2.323600     -0.2892000    
 O    4.789700      -2.061800      0.1130000    
 O   -1.164700       2.074800       1.320400    
 O    4.267200      0.1226000     -0.2764000    
 N    1.692200     -0.2424000      0.2920000    
 C   0.3079000     -0.7256000      0.4045000    
 C  -0.6695000      0.2502000     -0.2353000    
 C    2.546300      -1.434800      0.3825000    
 C    2.014300      -2.470700     -0.5971000    
 C   -2.113000     -0.2344000     -0.1693000    
 C  -0.5188000       1.642400      0.3746000    
 C    3.936200      -1.011500      3.6300000E-02
 C   -2.526600     -0.9426000      0.9392000    
 C   -2.958800      5.0600000E-02  -1.220300    
 C   -3.847600      -1.386600      0.9995000    
 C   -4.279800     -0.3931000      -1.160000    
 C   -4.724100      -1.111900     -5.0099999E-02
 C   0.7304000       3.646000      0.1889000    
 C    1.834800       4.258800     -0.6456000    
 H   0.1161000     -0.8678000       1.473400    
 H  -0.4188000      0.3518000      -1.303600    
 H    2.546100      -1.811000       1.414300    
 H    1.903400      0.4099000       1.046100    
 H    2.286500      -2.246100      -1.634000    
 H    2.360100      -3.480000     -0.3552000    
 H   -1.893400      -1.147400       1.793800    
 H   -2.622600      0.6115000      -2.086900    
 H   -4.196500      -1.938800       1.867200    
 H   -4.962800     -0.1782000      -1.976600    
 H   -5.753300      -1.455600     -2.2000000E-03
 H  -0.1772000       4.254200      0.1062000    
 H    1.042600       3.598100       1.238100    
 H    5.708900      -1.804300     -0.1128000    
 H    2.065800       5.272200     -0.3058000    
 H    2.743500       3.650300     -0.5879000    
 H    1.544500       4.296800      -1.700700    


%chk=000101105-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101105

0 1
S 0.319199 -2.613386 -0.724819
O 0.012723 2.547456 -0.285529
O 4.952424 -2.889352 -0.020450
O 0.569986 1.492244 1.712486
O 4.754759 -0.686754 0.697755
N 1.945270 -0.846126 0.503951
C 0.501016 -1.063160 0.408794
C -0.220746 0.154897 -0.226939
C 2.725243 -2.082209 0.418439
C 2.201999 -2.811643 -0.840386
C -1.743873 -0.016288 -0.218489
C 0.170247 1.432428 0.521407
C 4.216547 -1.765898 0.378730
C -2.466893 0.025960 1.001987
C -2.442904 -0.259922 -1.425519
C -3.865378 -0.169391 1.011363
C -3.841945 -0.457754 -1.416308
C -4.557630 -0.412776 -0.197817
C 0.312600 3.873836 0.346490
C 0.068833 4.932251 -0.723219
H 0.012151 -1.338315 1.366058
H 0.135151 0.253852 -1.266397
H 2.581892 -2.771712 1.290206
H 2.237384 -0.162588 1.211696
H 2.567770 -2.333543 -1.760858
H 2.440953 -3.884237 -0.832319
H -1.937270 0.223534 1.942383
H -1.888374 -0.301367 -2.369825
H -4.414642 -0.132178 1.958924
H -4.371269 -0.647547 -2.356776
H -5.642704 -0.565375 -0.190532
H -0.348688 3.992640 1.223696
H 1.359007 3.856521 0.700525
H 5.924211 -2.674092 0.006988
H 0.272739 5.936264 -0.308360
H 0.730545 4.774108 -1.591694
H -0.977333 4.905426 -1.072340


