%chk=000001296.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001296

0 1
 S  -0.1535000      0.9983000      0.5014000    
 S    2.794500       1.424800      0.4572000    
 S    5.569100      0.7206000     -0.1422000    
 O  -0.4227000       2.022100     -0.4886000    
 O  -0.1615000       1.275500       1.922800    
 O    6.263800     -1.1500000E-02  -1.186800    
 O    5.642000       2.170600     -9.1399997E-02
 O   -5.350300       1.271200      -1.399000    
 N   -1.093400     -0.4239000      0.1631000    
 N   0.7385000      -2.820300      0.1912000    
 N    6.019300      8.8000000E-02   1.377500    
 C   0.7601000      -1.793300     -0.8539000    
 C  -0.6541000      -1.192100      -1.058900    
 C    1.797000     -0.7663000     -0.4744000    
 C    1.468900      0.4320000      0.1222000    
 C    3.211700     -0.8578000     -0.6591000    
 C   -2.516100     -0.2400000      0.3421000    
 C    3.873400      0.2610000     -0.1943000    
 C  -0.2528000      -3.839200     -0.1122000    
 C   -3.252900      0.4347000     -0.6269000    
 C   -3.139300     -0.7384000       1.482100    
 C   -4.625500      0.6124000     -0.4541000    
 C   -4.511900     -0.5606000       1.654800    
 C   -5.255100      0.1147000      0.6867000    
 C   -6.749300       1.417400      -1.159300    
 H    1.072100      -2.249800      -1.803300    
 H  -0.6274000     -0.4952000      -1.908500    
 H   -1.400100      -1.946100      -1.330300    
 H    3.717800      -1.703500      -1.107200    
 H    1.657300      -3.261800      0.2409000    
 H   -1.271100      -3.510700      0.1151000    
 H  -7.0900001E-02  -4.706400      0.5324000    
 H  -0.1924000      -4.192500      -1.147100    
 H   -2.774100      0.8250000      -1.521300    
 H   -2.567500      -1.266100       2.240700    
 H   -5.001100     -0.9487000       2.543600    
 H   -6.316700      0.2173000      0.8842000    
 H    6.034800     -0.9357000       1.472000    
 H    6.810200      0.5397000       1.854100    
 H   -7.255100      0.4465000      -1.123500    
 H   -7.167700       1.964600      -2.010400    
 H   -6.943500       2.019900     -0.2653000    


%chk=000001296-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000001296

0 1
S -0.208414 1.236840 0.685816
S 2.959483 1.165484 0.896870
S 5.660952 -0.142669 -0.187266
O -0.465449 2.493514 -0.328615
O -0.297131 1.483103 2.290349
O 5.978416 -1.441452 -1.118901
O 6.283484 1.320502 -0.505333
O -5.826583 0.645281 -1.384375
N -1.327024 -0.430884 0.171075
N 0.241850 -2.746092 -0.531684
N 6.084295 -0.445559 1.570588
C 0.447368 -1.456386 -1.215926
C -0.905321 -0.709839 -1.238460
C 1.579878 -0.613164 -0.601384
C 1.427866 0.460676 0.265396
C 2.982595 -0.906881 -0.800309
C -2.703132 -0.130132 0.413879
C 3.810834 -0.061484 -0.088984
C 1.318615 -3.745848 -0.567976
C -3.634406 0.163079 -0.614808
C -3.124456 -0.143428 1.777476
C -4.990006 0.395163 -0.288761
C -4.470153 0.118661 2.083922
C -5.417205 0.379974 1.063996
C -7.235448 0.947604 -1.112757
H 0.729659 -1.671121 -2.266217
H -0.856692 0.206858 -1.863977
H -1.651246 -1.395799 -1.677032
H 3.365802 -1.691236 -1.457608
H -0.184118 -2.605209 0.393592
H 1.608714 -3.938709 -1.618261
H 0.939757 -4.695555 -0.151407
H 2.240650 -3.472565 -0.004690
H -3.340243 0.222992 -1.666254
H -2.390381 -0.356529 2.558670
H -4.797760 0.112891 3.128764
H -6.461323 0.568040 1.329482
H 6.134552 -1.460110 1.757928
H 6.960770 0.060900 1.778420
H -7.741949 0.095566 -0.619202
H -7.684425 1.123460 -2.100913
H -7.338176 1.856463 -0.489024


