%chk=000154716.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154716

0 1
 S   0.2244000       1.300800       1.427400    
 O   0.9329000       2.543700       1.166300    
 O  -0.5347000       1.149200       2.658200    
 N    1.321800      1.9999999E-04   1.292100    
 N    4.243500      -1.008800     -0.7924000    
 N   -1.770500     -0.9022000       1.196100    
 C    2.113100     -0.1697000      6.5099999E-02
 C    3.451200     -0.8054000      0.4136000    
 C  -0.8740000      0.9974000      9.2000000E-02
 C   -1.754400     -8.0499999E-02  0.1295000    
 C   -2.613000     -0.2746000     -0.9728000    
 C  -0.8304000       1.869800     -0.9982000    
 C   -2.569400      0.6029000      -2.069500    
 C   -1.678800       1.672700      -2.080500    
 C    5.517100      -1.655500     -0.4703000    
 C    4.480200      0.2645000      -1.475700    
 C   -3.499500      -1.359300     -0.9355000    
 C   -3.518500      -2.207800      0.1621000    
 C   -2.641200      -1.937500       1.192700    
 H    1.552800     -0.8063000     -0.6288000    
 H    2.241700      0.8160000     -0.3896000    
 H    3.983400     -0.1807000       1.144100    
 H    3.265500      -1.771300      0.9014000    
 H    1.122700     -0.8582000       1.820800    
 H  -0.1430000       2.709600      -1.034000    
 H   -3.229200      0.4574000      -2.921900    
 H   -1.647600       2.347700      -2.930300    
 H    6.086200      -1.863100      -1.383400    
 H    6.137200      -1.040400      0.1918000    
 H    5.345500      -2.622100      1.6600000E-02
 H    3.579100      0.6351000      -1.973800    
 H    4.868800       1.037000     -0.8022000    
 H    5.210600      0.1329000      -2.283600    
 H   -4.180400      -1.548900      -1.762200    
 H   -4.197300      -3.051100      0.2074000    
 H   -2.610700      -2.566300       2.076400    


%chk=000154716-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000154716

0 1
S 0.281713 1.592835 1.052811
O 1.123061 2.794079 0.338315
O -0.358116 1.791155 2.524710
N 1.377055 0.118674 1.110632
N 4.516616 -1.041424 -0.632934
N -1.378292 -1.029152 0.807301
C 2.317571 -0.009708 -0.025552
C 3.573765 -0.765446 0.473545
C -1.145896 1.197375 -0.163971
C -1.833012 -0.050248 -0.068015
C -2.983085 -0.246483 -0.929237
C -1.507840 2.192021 -1.062979
C -3.362538 0.788100 -1.844751
C -2.633152 1.976268 -1.921148
C 5.469525 -2.121254 -0.302773
C 5.208027 0.168207 -1.126664
C -3.686445 -1.489580 -0.812279
C -3.242095 -2.450664 0.096966
C -2.073749 -2.180070 0.878874
H 1.890080 -0.551271 -0.895010
H 2.588740 1.011268 -0.349835
H 4.031635 -0.174771 1.304153
H 3.258873 -1.736434 0.900897
H 0.710455 -0.669641 1.250753
H -0.926885 3.119928 -1.103501
H -4.234744 0.630721 -2.490089
H -2.922382 2.758540 -2.629854
H 6.089465 -2.351311 -1.188142
H 6.159107 -1.864653 0.541206
H 4.916916 -3.036997 -0.026411
H 4.477747 0.918059 -1.474875
H 5.853155 0.650911 -0.349276
H 5.848027 -0.100180 -1.986042
H -4.565600 -1.671609 -1.440900
H -3.758909 -3.407328 0.214324
H -1.693692 -2.932717 1.578656


