%chk=000113039.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113039

1 1
 S    5.057400      -1.261000     -0.3606000    
 N    2.520700      -1.329900      1.0500000E-02
 N   -3.161400     -0.5631000     -0.3816000    
 N   -4.279000      -1.396700     -2.9100001E-02
 N    3.152500      0.8035000     -0.1898000    
 N   0.1754000      -1.195800      0.3437000    
 N  -0.8101000     -0.5700000     -0.1204000    
 N   -2.290800      -2.306200      0.7060000    
 C    1.373500     -0.6089000      0.1398000    
 C    1.790400      0.7037000      1.2400000E-02
 C    3.535700     -0.4429000     -0.1816000    
 C   0.9234000       1.846600      7.9800002E-02
 C    2.884500      -2.655400      2.5200000E-02
 C   -2.019800      -1.162700      8.4600002E-02
 C    4.207500      -2.803600     -0.1589000    
 C   0.6752000       2.462500       1.306400    
 C   0.3289000       2.340400      -1.081500    
 C   -3.679800      -2.442200      0.6319000    
 C   -3.279500      0.6813000      -1.103800    
 C   -5.662500      -1.188500     -0.2988000    
 C  -0.1673000       3.572300       1.371700    
 C  -0.5134000       3.450300      -1.016200    
 C  -0.7615000       4.066300      0.2105000    
 H    2.156500      -3.439000      0.1705000    
 H    4.731400      -3.748600     -0.1867000    
 H    1.130600       2.089700       2.220900    
 H   0.5113000       1.871300      -2.045500    
 H   -4.204900      -3.285000       1.054100    
 H   -4.172700      0.6431000      -1.730000    
 H   -3.359700       1.488400     -0.3729000    
 H   -2.402200      0.8162000      -1.739500    
 H   -6.269300      -1.936400      0.2192000    
 H   -5.956800     -0.1940000      4.6799999E-02
 H   -5.838100      -1.269600      -1.374700    
 H  -0.3609000       4.051700       2.326800    
 H  -0.9773000       3.834000      -1.920200    
 H   -1.418200       4.929900      0.2615000    


%chk=000113039-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000113039

1 1
S 4.904783 -1.452437 0.572494
N 2.314872 -1.300669 0.223095
N -3.508907 -0.914535 -0.323528
N -4.340772 -2.025858 -0.535841
N 3.124972 0.828754 0.378081
N 0.017636 -1.117416 -0.045822
N -1.172138 -0.495666 -0.152348
N -2.201697 -2.771694 -0.493209
C 1.164071 -0.446019 0.092348
C 1.755775 0.923204 0.192240
C 3.419508 -0.493424 0.390898
C 1.141448 2.245215 0.114822
C 2.553797 -2.679745 0.226952
C -2.199968 -1.393329 -0.308708
C 3.886861 -2.959265 0.402107
C 1.981777 3.386629 0.320142
C -0.241321 2.447235 -0.175917
C -3.498911 -3.110084 -0.624572
C -3.997502 0.458764 -0.169886
C -5.805342 -1.936154 -0.597100
C 1.451556 4.683838 0.239515
C -0.760028 3.753435 -0.263102
C 0.077100 4.874998 -0.054482
H 1.728819 -3.377934 0.098613
H 4.371214 -3.931117 0.445752
H 3.040869 3.223625 0.537128
H -0.883203 1.574839 -0.329873
H -3.873073 -4.118609 -0.786977
H -4.384587 0.855752 -1.124000
H -4.776825 0.515166 0.607944
H -3.132372 1.059264 0.147844
H -6.187996 -2.935763 -0.853811
H -6.226450 -1.635403 0.377082
H -6.123514 -1.227786 -1.379579
H 2.102076 5.549081 0.400970
H -1.819324 3.906650 -0.497573
H -0.333503 5.888158 -0.121199


