%chk=000004122.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004122

0 1
 S   -5.741400      6.4999998E-02 -0.5593000    
 O   -3.599400      -1.813100      -1.199800    
 O    6.143300      0.9240000     -0.6104000    
 O    5.247000     -0.2580000       1.130200    
 N    1.586600      0.3856000      -1.143000    
 N    2.260600     -0.5837000      0.7401000    
 N    3.902900      0.5205000     -0.6351000    
 C   0.4556000     -0.1492000     -0.5815000    
 C   0.9024000     -0.7488000      0.5927000    
 C   -1.787200     -0.8144000     -0.1487000    
 C  -0.8793000     -0.1596000     -0.9875000    
 C  -2.3399999E-02  -1.402100       1.423500    
 C    2.637800      9.9900000E-02 -0.3170000    
 C   -1.369000      -1.425200       1.035900    
 C   -3.193700     -0.8593000     -0.5188000    
 C   -4.127000      0.1997000     -8.2999997E-02
 C   -3.838300       1.282000      0.6646000    
 C   -5.008400       2.068000      0.8726000    
 C   -6.114900       1.520700      0.2613000    
 C    5.109200      0.3355000      6.7599997E-02
 C    7.436500      0.8126000     -4.4999998E-03
 H   -1.191800      0.3182000      -1.909900    
 H    1.634600      0.8998000      -2.012400    
 H   0.2917000      -1.879600       2.345800    
 H   -2.089400      -1.930200       1.675900    
 H    3.982600       1.041800      -1.505100    
 H   -2.864200       1.537400       1.060900    
 H   -5.037100       2.988100       1.441600    
 H   -7.124700       1.906100      0.2574000    
 H    7.437500       1.296600      0.9767000    
 H    8.158000       1.322600     -0.6484000    
 H    7.724600     -0.2394000      8.1400000E-02


%chk=000004122-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000004122

0 1
S -5.922293 -0.258443 -0.675142
O -3.314275 -0.605755 -2.158802
O 6.444897 0.347384 -0.679520
O 5.300062 0.106515 1.369169
N 1.894354 0.166326 -1.446223
N 2.327246 -0.098679 0.793547
N 4.206452 0.213053 -0.752718
C 0.635961 0.010285 -0.832623
C 0.935319 -0.151924 0.566440
C -1.723840 -0.173266 -0.398299
C -0.668981 -0.006137 -1.335658
C -0.118699 -0.348630 1.485552
C 2.856974 0.090315 -0.422127
C -1.438238 -0.351776 0.993369
C -3.115056 -0.219996 -0.956652
C -4.255738 0.207996 -0.121811
C -4.324731 1.022485 1.012552
C -5.662817 1.274583 1.468577
C -6.629176 0.653691 0.685068
C 5.295564 0.207668 0.130911
C 7.721026 0.369170 0.066392
H -0.916450 0.091076 -2.397355
H 2.059564 0.302260 -2.442062
H 0.098566 -0.503855 2.545929
H -2.263532 -0.545754 1.684496
H 4.463390 0.315124 -1.736320
H -3.438898 1.459818 1.477941
H -5.900822 1.892058 2.337773
H -7.711225 0.668996 0.808293
H 7.737023 1.215273 0.773809
H 8.495323 0.484622 -0.704742
H 7.854748 -0.572985 0.624036


