%chk=000022171.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022171

0 1
 S   -1.327200       2.229600     -0.1456000    
 O    5.128100      -1.731800      0.3219000    
 N    2.354000      0.5052000     -0.5846000    
 C    1.071800      0.8067000      6.0500000E-02
 C   0.2997000       1.787600     -0.8308000    
 C    1.356700       1.359600       1.457400    
 C    3.099300     -0.4715000      0.1912000    
 C    4.427300     -0.7882000     -0.4777000    
 C   -2.119500      0.6282000     -6.2899999E-02
 C   -2.300200     -0.1145000      -1.226000    
 C   -2.551000      0.1329000       1.164200    
 C   -2.918000      -1.363400      -1.161700    
 C   -3.168600      -1.116000       1.228500    
 C   -3.352300      -1.864200      6.5499999E-02
 H   0.5013000     -0.1251000      0.1535000    
 H   0.1614000       1.375900      -1.836900    
 H   0.8648000       2.720100     -0.9456000    
 H    2.189100      0.1445000      -1.524100    
 H   0.4619000       1.782600       1.923700    
 H    2.109300       2.156500       1.433700    
 H    1.689500      0.5833000       2.154000    
 H    2.525400      -1.398400      0.3167000    
 H    3.351800     -0.1142000       1.194400    
 H    5.050400      0.1076000     -0.5681000    
 H    4.288500      -1.214800      -1.476700    
 H   -1.977500      0.2591000      -2.194200    
 H   -2.414900      0.7019000       2.080400    
 H   -3.062700      -1.945300      -2.067200    
 H   -3.506500      -1.506400       2.184000    
 H    4.586200      -2.537900      0.3681000    
 H   -3.833600      -2.836500      0.1157000    


%chk=000022171-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022171

0 1
S -1.380759 2.163543 0.025449
O 5.481450 -1.709137 0.040292
N 2.336523 0.334961 -0.429356
C 1.172380 0.854046 0.342385
C 0.324819 1.677632 -0.652746
C 1.632338 1.717423 1.532946
C 3.329322 -0.473760 0.307003
C 4.461446 -0.904195 -0.645564
C -2.247534 0.533778 -0.067179
C -2.470262 -0.099999 -1.313613
C -2.744846 -0.049156 1.122731
C -3.171609 -1.326189 -1.364783
C -3.463478 -1.266528 1.063985
C -3.672191 -1.911183 -0.177196
H 0.534246 0.023434 0.736166
H 0.155303 1.120129 -1.591559
H 0.824769 2.630466 -0.896621
H 2.013075 -0.163979 -1.271956
H 0.759871 2.228281 1.977012
H 2.359193 2.476805 1.190614
H 2.105182 1.110268 2.324492
H 2.885065 -1.387882 0.785807
H 3.769261 0.132885 1.116798
H 4.997565 -0.018895 -1.020410
H 4.042021 -1.456398 -1.517406
H -2.117768 0.372137 -2.237636
H -2.566113 0.446259 2.082698
H -3.342002 -1.812913 -2.331702
H -3.850647 -1.711784 1.987298
H 5.052391 -2.520546 0.413773
H -4.224512 -2.856402 -0.220424


