%chk=000227003.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227003

0 1
 S   0.9260000       2.650100      0.7798000    
 O    1.619400       3.778600      0.1888000    
 O   0.6326000       2.628500       2.199800    
 O    4.820000      -2.273500      -1.417100    
 O    3.943500      -3.260200      0.3424000    
 N  -0.5086000       2.360900     -9.7300000E-02
 N   -1.229400       1.156700      0.2624000    
 N    4.063700      -2.268700     -0.4166000    
 C    1.857700       1.189700      0.4244000    
 C   -2.315500      0.8722000     -0.3934000    
 C   -2.872400       1.729700      -1.525700    
 C   -3.052700     -0.3775000     -6.6000000E-03
 C    2.695000       1.174100     -0.6774000    
 C    1.731800      8.9699998E-02   1.254800    
 C    3.315700      -1.096200     -0.1316000    
 C   -2.269000       1.342000      -2.866300    
 C    3.429700      2.2000000E-02 -0.9576000    
 C    2.466600      -1.062300      0.9746000    
 C   -3.762500      -1.039800     -0.9756000    
 C   -2.981000     -0.7969000       1.297500    
 C   -4.447000      -2.200800     -0.6162000    
 C   -3.665300      -1.958100       1.656900    
 C   -4.398300      -2.660100      0.7001000    
 H   -3.961200       1.609600      -1.565400    
 H   -2.706100       2.791500      -1.318000    
 H  -0.5647000       2.687700      -1.067900    
 H    2.790900       2.032200      -1.335500    
 H    1.071500      9.3400002E-02   2.116600    
 H   -1.213900       1.631100      -2.913000    
 H   -2.306200      0.2694000      -3.068000    
 H   -2.789800       1.861300      -3.677000    
 H    4.079600      3.1500001E-02  -1.828900    
 H    2.350800      -1.914700       1.639300    
 H   -3.836400     -0.7171000      -2.004900    
 H   -2.423200     -0.2593000       2.057700    
 H   -5.020000      -2.746700      -1.360200    
 H   -3.629300      -2.314500       2.682300    
 H   -4.932100      -3.563500      0.9801000    


%chk=000227003-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227003

0 1
S 0.837459 2.286138 0.826322
O 1.424623 3.734486 0.363818
O 0.250877 1.990720 2.314964
O 6.009174 -1.674498 -1.173638
O 4.984658 -3.095002 0.287976
N -0.491279 1.851885 -0.595659
N -1.362333 0.906125 -0.144788
N 5.079094 -1.967244 -0.329817
C 2.136471 0.970107 0.459896
C -2.583322 0.764601 -0.652930
C -3.076946 1.641073 -1.795589
C -3.416628 -0.327372 -0.090640
C 3.152543 1.287451 -0.456632
C 2.037247 -0.257153 1.135741
C 4.042844 -0.932768 -0.051061
C -2.464364 1.232498 -3.164221
C 4.134540 0.309902 -0.716192
C 3.017757 -1.235612 0.871546
C -4.567961 -0.805196 -0.776844
C -3.077549 -0.914130 1.163696
C -5.356617 -1.838820 -0.226241
C -3.868082 -1.941260 1.711673
C -5.012532 -2.410083 1.019591
H -4.177573 1.617619 -1.845758
H -2.807892 2.699995 -1.586606
H -0.867113 2.797849 -0.855141
H 3.181287 2.272957 -0.931586
H 1.231046 -0.430484 1.854351
H -1.360898 1.263652 -3.127890
H -2.764866 0.206442 -3.440405
H -2.803605 1.917320 -3.961425
H 4.956477 0.490202 -1.413312
H 3.001391 -2.213138 1.359620
H -4.846268 -0.385564 -1.749536
H -2.196532 -0.538781 1.693462
H -6.237031 -2.198702 -0.769825
H -3.600576 -2.374506 2.681765
H -5.627622 -3.208712 1.448613


