%chk=000095177.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095177

0 1
 S   -1.068800       1.136500      4.8000002E-03
 N   -4.339100       1.699100     -1.4700000E-02
 N   -2.223300      -1.309100      3.7000000E-03
 N   -6.007400      0.2208000     -2.0700000E-02
 N   -4.618100      -1.774100     -8.5000005E-03
 C    4.171900      0.5357000      7.5099997E-02
 C    5.396900     -0.3835000      6.6500001E-02
 C    2.842700     -0.2218000      3.3599999E-02
 C    6.726000      0.3739000      3.3599999E-02
 C    1.653900      0.7444000      2.0900000E-02
 C    7.910300     -0.5904000     -4.6999998E-02
 C   0.3321000     -1.7899999E-02  1.5200000E-02
 C    9.232800      0.1563000     -0.1186000    
 C   -2.458200      8.8000000E-03 -5.0000002E-04
 C   -3.744800      0.4693000     -8.7000001E-03
 C   -4.801100     -0.4317000     -1.2700000E-02
 C   -5.694300       1.499000     -2.1700000E-02
 C   -3.311500      -2.115300     -3.9999999E-04
 H    4.226700       1.210500     -0.7883000    
 H    4.204500       1.166500      0.9721000    
 H    5.337800      -1.043100     -0.8083000    
 H    5.368100      -1.030000      0.9523000    
 H    2.773600     -0.8832000      0.9056000    
 H    2.809900     -0.8577000     -0.8592000    
 H    6.814900      0.9991000      0.9302000    
 H    6.741400       1.046400     -0.8326000    
 H    1.708900       1.394000      0.9036000    
 H    1.722700       1.388300     -0.8650000    
 H    7.914100      -1.248800      0.8294000    
 H    7.811900      -1.229100     -0.9326000    
 H   0.2781000     -0.6579000     -0.8722000    
 H   0.2675000     -0.6535000      0.9051000    
 H    9.377700      0.7828000      0.7673000    
 H    9.273600      0.7982000      -1.004300    
 H    10.06550     -0.5519000     -0.1738000    
 H   -3.868200       2.594100     -1.4000000E-02
 H   -6.392700       2.323700     -2.7300000E-02
 H   -3.104200      -3.180000      3.1999999E-03


%chk=000095177-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095177

0 1
S -1.118264 1.170566 0.005913
N -4.461539 1.755714 0.020729
N -2.320438 -1.324121 0.005277
N -6.171540 0.227784 0.024361
N -4.731160 -1.801939 0.014061
C 4.227579 0.541823 -0.007187
C 5.452833 -0.399921 -0.009893
C 2.880424 -0.216204 -0.005785
C 6.802354 0.353159 -0.011063
C 1.659106 0.735907 -0.002196
C 8.027426 -0.589586 -0.013309
C 0.341112 -0.052498 -0.000743
C 9.372265 0.168957 -0.014520
C -2.523422 0.018071 0.009028
C -3.852933 0.499771 0.015483
C -4.934678 -0.448263 0.017864
C -5.844061 1.529509 0.025981
C -3.420803 -2.155917 0.007871
H 4.274046 1.206486 -0.894949
H 4.276743 1.204804 0.881687
H 5.403652 -1.063642 -0.898485
H 5.406173 -1.065409 0.877494
H 2.834362 -0.880098 0.881981
H 2.831158 -0.877755 -0.895142
H 6.854077 1.017039 0.877378
H 6.851819 1.018360 -0.898650
H 1.708904 1.392590 0.888928
H 1.705568 1.395188 -0.891571
H 7.977081 -1.254003 0.873526
H 7.974786 -1.252725 -0.900974
H 0.222312 -0.683075 -0.895906
H 0.226864 -0.687147 0.892133
H 9.463543 0.815499 0.878765
H 9.461083 0.816960 -0.906994
H 10.230795 -0.527604 -0.016277
H -3.992000 2.660757 0.020775
H -6.562883 2.346475 0.030752
H -3.200548 -3.227112 0.004758


