%chk=000005374.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005374

0 1
 S    2.962400       1.203700     -0.2255000    
 N   -1.796600      0.5479000      0.1866000    
 N    2.329500      -1.277100      0.1057000    
 N    4.574100     -0.8894000     -0.5262000    
 C  -0.9585000       1.635300     -0.3599000    
 C   -1.269300     -0.7997000     -0.1127000    
 C   0.3258000       1.901200      0.4373000    
 C  -6.6500001E-02  -1.207400      0.7474000    
 C    1.353500      0.8425000      0.2288000    
 C    1.196800     -0.5237000      0.3604000    
 C   -3.153500      0.6647000     -0.3650000    
 C    3.318400     -0.4729000     -0.2131000    
 C   -4.079100     -0.3534000      0.2265000    
 C   -4.737000      -1.271800     -0.4903000    
 H   -1.530900       2.571700     -0.3124000    
 H  -0.7328000       1.464300      -1.421300    
 H   -1.032400     -0.8967000      -1.181200    
 H   -2.012400      -1.573300      0.1046000    
 H   9.5799997E-02   1.982500       1.507300    
 H   0.7216000       2.878300      0.1325000    
 H   7.7000000E-02  -2.291200      0.6497000    
 H  -0.2762000      -1.019400       1.807800    
 H   -3.136500      0.5901000      -1.460600    
 H   -3.568900       1.650200     -0.1183000    
 H   -4.229500     -0.3307000       1.303200    
 H    4.825300      -1.872400     -0.5314000    
 H    5.310000     -0.2338000     -0.7680000    
 H   -5.398400      -1.979100     -1.9000000E-03
 H   -4.628100      -1.336100      -1.567200    


%chk=000005374-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005374

0 1
S 3.109413 1.358219 -0.079660
N -1.795979 0.471818 0.017270
N 2.474252 -1.241516 0.090160
N 4.806118 -0.868348 -0.318858
C -0.985523 1.634106 -0.428115
C -1.208399 -0.849530 -0.337742
C 0.284054 1.884819 0.425996
C -0.007871 -1.274143 0.537501
C 1.373088 0.861518 0.229778
C 1.276892 -0.517871 0.281022
C -3.213621 0.578483 -0.430708
C 3.511659 -0.443828 -0.103599
C -4.127969 -0.351944 0.341023
C -5.070066 -1.153754 -0.215229
H -1.625112 2.533113 -0.339698
H -0.683228 1.541387 -1.501805
H -0.904598 -0.875879 -1.414872
H -2.006658 -1.601780 -0.202540
H -0.027110 1.915873 1.490140
H 0.666246 2.891767 0.173577
H 0.202352 -2.343529 0.355936
H -0.309369 -1.171611 1.598757
H -3.336331 0.399079 -1.528834
H -3.536787 1.622107 -0.238883
H -3.995454 -0.325226 1.432700
H 4.983623 -1.869892 -0.326793
H 5.570286 -0.216088 -0.460061
H -5.730471 -1.776069 0.398987
H -5.209838 -1.206981 -1.302648


