%chk=000113981.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113981

0 1
 S    2.171100      0.9315000     -1.1300000E-02
 N   -1.558400     -0.6585000     -1.7700000E-02
 N    4.788800      0.6252000      1.9800000E-02
 N    3.519700      -1.366600     -2.0000001E-03
 C   -2.883300     -2.9700000E-02  2.4000001E-03
 C   -3.947500      -1.132300     -2.4000001E-03
 C   -3.004500      0.8124000       1.276900    
 C   -3.042300      0.8615000      -1.235100    
 C  -0.5136000      0.3512000     -3.7000000E-03
 C   0.8542000     -0.3193000     -2.9100001E-02
 C    3.615700     -7.5499997E-02  2.3000001E-03
 H   -1.463100      -1.242000     -0.8487000    
 H   -3.843500      -1.790600      0.8681000    
 H   -4.957700     -0.7080000      2.3600001E-02
 H   -3.874600      -1.754600     -0.9021000    
 H   -2.438200       1.749000       1.240500    
 H   -2.695200      0.2509000       2.166600    
 H   -4.050100       1.104800       1.436900    
 H   -2.767000      0.3323000      -2.155200    
 H   -4.090300       1.166500      -1.347500    
 H   -2.466200       1.791100      -1.183200    
 H  -0.5497000      0.9627000      0.9030000    
 H  -0.5671000       1.010600     -0.8756000    
 H   0.9603000     -0.9314000     -0.9320000    
 H   0.9683000     -0.9700000      0.8454000    
 H    5.686500      0.1535000      2.9899999E-02
 H    4.795800       1.639400      2.3300000E-02
 H    4.463500      -1.768500      8.6000003E-03


%chk=000113981-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113981

0 1
S 2.461018 0.590969 1.310705
N -1.414902 -0.582714 0.366526
N 4.473217 0.647342 -0.466623
N 2.685190 -0.928901 -0.971800
C -2.731447 -0.006882 -0.060606
C -3.714805 -1.199859 -0.151080
C -3.233482 0.985492 1.018623
C -2.651909 0.710117 -1.442578
C -0.233727 0.306768 0.428602
C 0.860458 -0.407564 1.239917
C 3.262983 -0.007565 -0.251868
H -1.198249 -1.427762 -0.182849
H -3.781436 -1.713704 0.824136
H -4.723794 -0.856643 -0.442021
H -3.376202 -1.934822 -0.907698
H -2.591372 1.882883 1.084179
H -3.243571 0.493292 2.006847
H -4.257128 1.326856 0.778686
H -2.329407 0.003812 -2.231320
H -3.636460 1.122954 -1.732585
H -1.929096 1.546060 -1.414751
H -0.517020 1.244665 0.938291
H 0.184655 0.577646 -0.566887
H 1.140268 -1.362979 0.763475
H 0.553562 -0.571273 2.285089
H 5.046055 0.416032 -1.275597
H 4.808472 1.360524 0.178845
H 3.199730 -1.219141 -1.823959


