%chk=000005503.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005503

0 1
 S   -1.908800      -2.042700     -0.1408000    
 O   0.6255000     -0.5986000      -1.208000    
 O   -1.656600      -2.322100      -1.541400    
 O   -2.599800      -3.010300      0.6891000    
 N    2.858800     -0.1246000      0.3545000    
 N    1.715500     -0.7441000      0.8273000    
 N  -0.4443000      -1.589800      0.6156000    
 C    5.150900       1.969300     -0.2686000    
 C    5.444600      0.6171000     -0.9146000    
 C    3.707400       2.177800      0.1806000    
 C    5.367600     -0.5295000      8.8900000E-02
 C    3.135400       1.098900       1.104200    
 C    3.959600      -1.088200      0.3171000    
 C   0.6549000     -0.9357000     -2.7899999E-02
 C   -2.806900     -0.5218000     -7.6300003E-02
 C   -2.693600      0.3751000      -1.124600    
 C   -3.606900     -0.2552000       1.021500    
 C   -4.213700       1.860300      2.4900001E-02
 C   -3.402400       1.575500      -1.073400    
 C   -4.315800      0.9449000       1.072400    
 C   -4.971400       3.143600      7.9499997E-02
 H    5.818400       2.115400      0.5901000    
 H    5.402500       2.760100     -0.9863000    
 H    4.784200      0.4396000      -1.771200    
 H    6.467700      0.6553000      -1.309300    
 H    3.652000       3.142600      0.7010000    
 H    3.065800       2.278300     -0.7050000    
 H    5.996200      -1.353400     -0.2725000    
 H    5.802500     -0.2168000       1.046500    
 H    3.780400      0.9218000       1.973700    
 H    2.197100       1.509100       1.503800    
 H    3.748500      -1.802900     -0.4896000    
 H    3.990300      -1.676600       1.245100    
 H    1.684000      -1.042900       1.797000    
 H  -0.3237000      -1.866000       1.598300    
 H   -2.064700      0.1759000      -1.986400    
 H   -3.693000     -0.9521000       1.849400    
 H   -3.312400       2.282000      -1.894400    
 H   -4.941800       1.157000       1.935200    
 H   -5.905900       3.027300      0.6389000    
 H   -4.366600       3.916700      0.5637000    
 H   -5.240600       3.486600     -0.9253000    


%chk=000005503-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005503

0 1
S -1.669504 -2.055798 0.344286
O 0.941155 -0.386056 -0.253691
O -1.242551 -2.759019 -1.047358
O -2.574311 -2.842780 1.445448
N 3.411417 -0.775228 1.219873
N 2.159879 -1.325320 1.540370
N -0.154472 -1.680720 1.359832
C 3.915064 2.198099 -0.172955
C 3.987512 1.099827 -1.261368
C 3.136327 1.797796 1.099640
C 4.797887 -0.155718 -0.846313
C 3.707751 0.546733 1.820844
C 3.994448 -1.227569 -0.076137
C 0.988572 -1.081769 0.802802
C -2.448123 -0.376442 0.006509
C -1.981501 0.383175 -1.077140
C -3.511361 0.007215 0.837718
C -3.712624 2.055985 -0.522079
C -2.633685 1.608554 -1.331789
C -4.141728 1.239873 0.557756
C -4.380498 3.390453 -0.797808
H 4.948995 2.491115 0.110599
H 3.443431 3.101910 -0.608878
H 2.961706 0.790971 -1.540247
H 4.454872 1.540118 -2.164884
H 3.161209 2.645340 1.816176
H 2.076152 1.612337 0.847054
H 5.178809 -0.664978 -1.754393
H 5.696129 0.145958 -0.269928
H 4.809122 0.637946 1.904305
H 3.316606 0.507113 2.855258
H 3.165775 -1.562280 -0.728798
H 4.653457 -2.104136 0.104549
H 2.147409 -2.032769 2.280634
H -0.153921 -2.240932 2.221099
H -1.139628 0.035740 -1.681248
H -3.843569 -0.643607 1.652785
H -2.295245 2.226691 -2.171001
H -4.980124 1.566113 1.183466
H -5.406715 3.423071 -0.393868
H -3.813255 4.217338 -0.328271
H -4.429971 3.602550 -1.880147


