%chk=000025108.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025108

1 1
 S   -3.917500       1.140400     -0.6596000    
 S    3.662400       1.161900      0.1215000    
 N   -4.758300      -1.030600      0.2734000    
 N    4.945900      -1.150600     -0.2972000    
 C   -5.856100     -0.2003000      0.2953000    
 C    5.951700     -0.1818000     -0.1163000    
 C   -5.579100       1.070400     -0.1935000    
 C    5.453700       1.119300      0.1206000    
 C   -3.682900     -0.4728000     -0.1958000    
 C    3.668000     -0.5965000     -0.2014000    
 C   -4.809100      -2.402900      0.7318000    
 C    5.305600      -2.532600     -0.5501000    
 C   -6.572700       2.057700     -0.2506000    
 C    6.294100       2.205200      0.3233000    
 C   -7.140800     -0.5342000      0.7471000    
 C    7.329000     -0.3793000     -0.1478000    
 C   -7.854100       1.722200      0.2008000    
 C    7.670800       1.991200      0.2888000    
 C   -8.135000      0.4475000      0.6918000    
 C    8.184300      0.7092000      5.5000000E-02
 C   -5.174000      -3.348900     -0.3964000    
 C   -2.409800      -1.118100     -0.3254000    
 C    5.468100      -3.293700      0.7256000    
 C    2.484100      -1.217700     -0.3210000    
 C   -6.322300       3.436500     -0.7671000    
 C    5.770000       3.578100      0.5738000    
 C   -1.233700     -0.4814000     -0.2029000    
 C    1.218800     -0.5353000     -0.2016000    
 C   3.9099999E-02  -1.162800     -0.3224000    
 H   -5.523300      -2.505100       1.555600    
 H   -3.848800      -2.696300       1.171800    
 H    4.524100      -3.014600      -1.150300    
 H    6.206200      -2.615200      -1.169300    
 H   -7.396800      -1.517800       1.126100    
 H    7.769100      -1.356200     -0.3174000    
 H   -8.654200       2.458700      0.1709000    
 H    8.365700       2.813000      0.4428000    
 H   -9.139600      0.2125000       1.033600    
 H    9.260300      0.5582000      3.3000000E-02
 H   -4.452900      -3.293000      -1.217400    
 H   -5.198600      -4.381200     -3.4000002E-02
 H   -6.160000      -3.109200     -0.8067000    
 H   -2.404800      -2.188400     -0.5140000    
 H    6.269400      -2.880000       1.346500    
 H    4.549300      -3.277500       1.321700    
 H    5.713400      -4.340500      0.5195000    
 H    2.449800      -2.286600     -0.5130000    
 H   -6.504100       3.469100      -1.846000    
 H   -5.296100       3.763100     -0.5733000    
 H   -6.981700       4.164700     -0.2822000    
 H    6.579900       4.303100      0.7104000    
 H    5.168100       3.921200     -0.2742000    
 H    5.161100       3.597800       1.483600    
 H   -1.188900      0.5833000      1.0900000E-02
 H    1.178400      0.5304000     -5.7999999E-03
 H   1.0500000E-02  -2.232200     -0.5200000    


%chk=000025108-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025108

1 1
S -3.872059 1.203719 0.095452
S 3.837493 1.333740 -0.078297
N -4.957045 -1.208049 0.252740
N 5.005537 -1.042368 -0.165954
C -6.068103 -0.324565 0.223712
C 6.085382 -0.120489 -0.160350
C -5.685931 1.039448 0.153718
C 5.656130 1.230932 -0.129192
C -3.712891 -0.607623 0.168401
C 3.741295 -0.483343 -0.099673
C -5.133547 -2.683689 0.318140
C 5.233238 -2.512330 -0.191505
C -6.615832 2.098986 0.128939
C 6.549086 2.322076 -0.133643
C -7.436235 -0.675211 0.261591
C 7.464758 -0.425008 -0.186816
C -7.983917 1.726860 0.173678
C 7.929221 1.995882 -0.166707
C -8.383215 0.369140 0.236615
C 8.375239 0.651514 -0.190751
C -5.234456 -3.328937 -1.078494
C -2.470813 -1.271475 0.135067
C 5.352702 -3.116772 1.221888
C 2.522744 -1.188466 -0.048512
C -6.171295 3.544414 0.057101
C 6.055434 3.752927 -0.104210
C -1.221051 -0.620594 0.081904
C 1.251382 -0.579697 -0.012422
C 0.026685 -1.277945 0.043117
H -6.043944 -2.879044 0.908856
H -4.292901 -3.105968 0.893306
H 4.409155 -2.978595 -0.756541
H 6.151355 -2.691696 -0.775269
H -7.764863 -1.717047 0.302783
H 7.828498 -1.455848 -0.197499
H -8.745009 2.513761 0.155660
H 8.662873 2.808640 -0.170574
H -9.449335 0.123625 0.264371
H 9.449240 0.442321 -0.210504
H -4.318730 -3.155448 -1.669530
H -5.377088 -4.418888 -0.975545
H -6.090211 -2.923654 -1.645014
H -2.475750 -2.367300 0.142676
H 6.193892 -2.669450 1.778488
H 4.430769 -2.957696 1.807293
H 5.530745 -4.203842 1.147641
H 2.565445 -2.283273 -0.026741
H -5.578969 3.738159 -0.857451
H -5.536565 3.813947 0.922590
H -7.035188 4.227758 0.048686
H 6.895783 4.465040 -0.111107
H 5.416819 3.976532 -0.979893
H 5.451839 3.952041 0.801756
H -1.204906 0.480799 0.069000
H 1.197414 0.520459 -0.027282
H 0.045396 -2.377007 0.056810


