%chk=000148826.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148826

0 1
 S    3.098400       1.500600     -2.2100000E-02
 O   -3.569200       3.387700     -8.3800003E-02
 N   -1.855300       1.162900      2.4599999E-02
 N   0.3883000      0.5087000      7.7999998E-03
 N   0.9791000      -1.827500      1.3100000E-02
 N    5.716400       2.087000     -5.1800001E-02
 C   -2.337900       1.666300      -1.268700    
 C   -1.874200       2.137700       1.120600    
 C  -0.9054000      0.1363000      2.0400001E-02
 C   -3.676700       2.370800      -1.079800    
 C   -3.237400       2.817700       1.181900    
 C   -1.332400      -1.188600      3.0099999E-02
 C  -0.3225000      -2.164600      2.5800001E-02
 C    1.263800     -0.5094000      4.9999999E-03
 C   -2.690100      -1.552800      4.3299999E-02
 C  -0.7111000      -3.502000      3.5100002E-02
 C    2.654700     -0.1577000     -1.0800000E-02
 C   -3.049900      -2.896800      5.2600000E-02
 C   -2.059000      -3.872200      4.8300002E-02
 C    3.767000     -0.9799000     -1.8999999E-02
 C    4.985900     -0.2422000     -3.4499999E-02
 C    4.767400       1.117900     -3.7900001E-02
 H   -1.598400       2.371200      -1.668100    
 H   -2.456200      0.8526000      -1.993600    
 H   -1.668700       1.648200       2.079500    
 H   -1.091800       2.885700      0.9430000    
 H   -3.982700       2.847700      -2.016300    
 H   -4.464400       1.663000     -0.7946000    
 H   -4.022100       2.111900       1.480500    
 H   -3.218900       3.625000       1.920800    
 H   -3.484600     -0.8114000      5.1399998E-02
 H   4.5100000E-02  -4.284800      3.2099999E-02
 H   -4.097300      -3.182100      6.4000003E-02
 H   -2.331300      -4.923700      5.5700000E-02
 H    3.719500      -2.061900     -1.4100000E-02
 H    5.970300     -0.6938000     -4.2900000E-02
 H    5.470800       3.071600     -5.2700002E-02
 H    6.709000       1.874600     -6.0600001E-02


%chk=000148826-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148826

0 1
S 3.064832 1.583621 0.348467
O -3.723007 3.441840 -0.074468
N -1.886216 1.213251 -0.098688
N 0.332889 0.457512 0.008868
N 0.988104 -1.881455 -0.283198
N 5.773108 2.135986 0.629572
C -3.017884 1.284318 -1.060119
C -1.406816 2.568245 0.270905
C -0.979235 0.147879 -0.089223
C -4.172324 2.088717 -0.439981
C -2.584674 3.364301 0.861186
C -1.413444 -1.245850 -0.134563
C -0.355062 -2.223728 -0.299011
C 1.268404 -0.570543 -0.053614
C -2.754382 -1.701877 0.047640
C -0.705426 -3.606730 -0.429535
C 2.654650 -0.177472 0.097929
C -3.066105 -3.064435 -0.045029
C -2.036686 -4.017100 -0.317488
C 3.809125 -0.955897 0.085041
C 5.026538 -0.228280 0.268326
C 4.823542 1.149547 0.428277
H -2.673322 1.810865 -1.977598
H -3.348048 0.277958 -1.355463
H -0.588800 2.471014 1.002098
H -0.996946 3.090408 -0.619315
H -4.988384 2.237127 -1.166235
H -4.562042 1.562485 0.459185
H -2.915005 2.891149 1.811166
H -2.293781 4.410452 1.051557
H -3.540299 -0.986444 0.311080
H 0.109734 -4.320142 -0.584022
H -4.096466 -3.403161 0.107498
H -2.291352 -5.079285 -0.405564
H 3.751496 -2.037303 -0.057108
H 6.015785 -0.692974 0.282137
H 5.519086 3.114941 0.721823
H 6.756613 1.884760 0.681763


