%chk=000096907.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096907

0 1
 S    1.868300     -0.5527000       1.950100    
 P   0.9349000      3.9999999E-02  0.3231000    
 N    1.631900       1.369200     -0.4171000    
 N   0.9428000      -1.084100     -0.9157000    
 N  -0.6878000      0.4652000      0.4975000    
 C    1.776500       2.553000      0.4099000    
 C    2.966900       1.721900      2.9999999E-02
 C    2.246500      -1.426900      -1.454500    
 C    1.486500      -2.390300     -0.5902000    
 C   -1.379600       1.057300     -0.6530000    
 C   -1.589300     -0.4978000       1.140700    
 C   -2.630900       1.768300     -0.2381000    
 C   -1.988900      -1.592600      0.2000000    
 C   -3.851900       1.457800     -0.6884000    
 C   -1.725900      -2.888300      0.4055000    
 H    1.636700       3.498500     -9.6799999E-02
 H    1.415200       2.517100       1.427800    
 H    3.498700       1.198700      0.8060000    
 H    3.620600       2.112700     -0.7420000    
 H    2.278900      -1.618400      -2.518600    
 H    3.131200     -0.9657000      -1.039400    
 H    1.917000      -2.656000      0.3600000    
 H    1.010600      -3.227700      -1.088900    
 H   -1.546100      0.3474000      -1.470500    
 H  -0.7478000       1.836700      -1.093700    
 H   -2.488000     -1.3400000E-02   1.539400    
 H   -1.105300     -0.9158000       2.030300    
 H   -2.532300       2.590100      0.4674000    
 H   -2.594800      -1.353300     -0.6688000    
 H   -4.719200       2.014000     -0.3501000    
 H   -4.008800      0.6533000      -1.398100    
 H   -2.074600      -3.638300     -0.2959000    
 H   -1.160600      -3.222600       1.268400    


%chk=000096907-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096907

0 1
S 1.686576 -0.764631 1.961334
P 0.884988 0.011125 0.179850
N 1.362618 1.683563 -0.275686
N 1.346727 -0.820667 -1.353388
N -0.840875 0.120377 0.141544
C 1.686381 2.637393 0.857183
C 2.798806 2.101930 -0.023999
C 2.700464 -1.510054 -1.408556
C 1.435044 -2.336578 -1.302691
C -1.517983 0.773155 -1.012078
C -1.669690 -0.658376 1.094528
C -2.391904 1.926913 -0.558110
C -2.033239 -2.043339 0.585110
C -3.727460 2.013963 -0.779720
C -1.767382 -3.193301 1.253614
H 1.304738 3.651282 0.706856
H 1.633975 2.242581 1.880748
H 3.472944 1.366627 0.435290
H 3.228107 2.721956 -0.816150
H 3.214388 -1.403238 -2.368353
H 3.330604 -1.462340 -0.509993
H 1.236159 -2.826682 -0.340690
H 1.024198 -2.830770 -2.187915
H -2.123302 0.031680 -1.571949
H -0.731785 1.144481 -1.694003
H -2.585950 -0.062974 1.279943
H -1.122154 -0.739777 2.050490
H -1.865059 2.724830 -0.015104
H -2.545927 -2.087996 -0.388091
H -4.312618 2.878500 -0.446739
H -4.272885 1.224351 -1.313000
H -2.058590 -4.172621 0.855933
H -1.248511 -3.184061 2.220092


