%chk=000101442.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101442

0 1
 S    5.366100     -1.2000001E-03  0.2222000    
 O    6.014700     -1.5000000E-03  -1.278500    
 O    5.731700       1.264000      0.8424000    
 O    5.702900      -1.264400      0.8599000    
 N  -0.5085000      8.9999998E-04 -0.6168000    
 N   -1.100500     -6.9999998E-04  0.4881000    
 N   -4.548600      -1.204200     -1.0100000E-02
 N   -4.548000       1.205700     -7.3000002E-03
 N   -2.523900      -2.401700      0.2801000    
 N   -2.522600       2.401400      0.2855000    
 N   -6.541000      1.6000000E-03 -0.2962000    
 C    3.637600     -7.9999998E-04 -2.5400000E-02
 C   0.8757000      6.0000003E-04 -0.4180000    
 C    2.946500      -1.208500     -0.1242000    
 C    2.947700       1.207500     -0.1229000    
 C    1.565500      -1.207700     -0.3206000    
 C    1.566700       1.208200     -0.3192000    
 C   -2.491600     -1.9999999E-04  0.2879000    
 C   -3.213700      -1.167800      0.1824000    
 C   -3.213100       1.168000      0.1849000    
 C   -5.143600      1.0000000E-03 -9.4300002E-02
 H    3.463100      -2.161800     -5.9099998E-02
 H    3.465900       2.159900     -5.6000002E-02
 H    1.035900      -2.153800     -0.3990000    
 H    1.038000       2.154800     -0.3964000    
 H    5.796700      0.7840000      -1.833400    
 H   -1.662700      -2.430200      0.8119000    
 H   -3.076500      -3.247100      0.2092000    
 H   -1.661500       2.428100      0.8176000    
 H   -3.074700       3.247200      0.2166000    
 H   -7.032500      0.8818000     -0.3667000    
 H   -7.033100     -0.8781000     -0.3689000    


%chk=000101442-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101442

0 1
S 5.537704 0.428165 -0.155061
O 5.860494 -1.307881 0.441820
O 6.202435 0.589968 -1.622636
O 5.924243 1.451324 1.038895
N -0.475830 -0.108285 -0.731252
N -1.239566 0.157614 0.333057
N -4.709162 -0.411692 -1.021579
N -4.768623 0.257332 1.353705
N -2.657154 -0.623704 -2.144251
N -2.794449 0.690491 2.528644
N -6.710742 -0.183551 0.147959
C 3.690473 0.257486 -0.293852
C 0.921284 0.036461 -0.508958
C 2.907613 0.572372 0.833020
C 3.154824 -0.163007 -1.523513
C 1.511852 0.462461 0.718491
C 1.755439 -0.266978 -1.622972
C -2.600493 0.042635 0.190382
C -3.345721 -0.336642 -1.007144
C -3.411915 0.331564 1.365893
C -5.342877 -0.110691 0.156440
H 3.382914 0.908130 1.760085
H 3.810200 -0.383873 -2.371339
H 0.862305 0.699263 1.564352
H 1.286366 -0.587228 -2.558341
H 6.849343 -1.397777 0.573692
H -1.618437 -0.549730 -2.069547
H -3.178096 -0.886931 -2.980722
H -1.776748 0.744679 2.540052
H -3.359048 0.892579 3.350494
H -7.222962 0.031010 0.999759
H -7.187066 -0.450564 -0.709869


