%chk=000080596.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080596

0 1
 S    3.917600      0.3890000      -1.139100    
 N    5.634400      -1.314500     -0.1530000    
 N    5.640400      0.9817000      0.7188000    
 C   -2.552200     -0.2510000      0.2936000    
 C   -3.876800      6.1000001E-02 -0.4069000    
 C   -1.358400      0.1210000     -0.5887000    
 C   -5.072200     -0.2748000      0.4876000    
 C  -4.6000001E-03 -0.1035000      9.1300003E-02
 C   -6.394100      6.8700001E-02 -0.2028000    
 C    1.190900      0.2457000     -0.8005000    
 C   -7.625000     -0.2764000      0.6381000    
 C    2.506500     -3.2000002E-02 -7.7399999E-02
 C   -8.938300      0.1279000     -1.3900000E-02
 C    5.258000      5.2999998E-03 -2.1700000E-02
 C    6.652700      -2.034300      0.5669000    
 C    5.021000       2.286100      0.6076000    
 H   -2.506100      -1.317600      0.5442000    
 H   -2.495500      0.3062000       1.236500    
 H   -3.942600     -0.5102000      -1.340800    
 H   -3.908100       1.124200     -0.6749000    
 H   -1.398200     -0.4664000      -1.514400    
 H   -1.436900       1.175800     -0.8799000    
 H   -5.055700      -1.342100      0.7388000    
 H   -4.997800      0.2811000       1.430100    
 H   6.8700001E-02  -1.154500      0.3977000    
 H   3.9799999E-02  0.4973000       1.008200    
 H   -6.409000       1.140600     -0.4369000    
 H   -6.455100     -0.4648000      -1.159500    
 H    1.134900     -0.3451000      -1.723400    
 H    1.129100       1.304000      -1.083200    
 H   -7.549600      0.2205000       1.612600    
 H   -7.641000      -1.355400      0.8323000    
 H    2.554600      0.5438000      0.8516000    
 H    2.572600      -1.093400      0.1852000    
 H   -8.973000       1.208600     -0.1844000    
 H   -9.066700     -0.3762000     -0.9770000    
 H   -9.781600     -0.1434000      0.6287000    
 H    5.128200      -1.864800     -0.8428000    
 H    7.631500      -1.572400      0.4083000    
 H    6.699700      -3.070800      0.2204000    
 H    6.432600      -2.037900       1.638500    
 H    3.980300       2.301700      0.9441000    
 H    5.126400       2.730400     -0.3884000    
 H    5.553900       2.965700       1.283300    


%chk=000080596-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080596

0 1
S 3.912744 0.146801 -1.318349
N 6.087314 -1.255560 -0.457712
N 5.697271 0.613997 0.912642
C -2.661170 -0.088567 0.277595
C -4.014745 0.022070 -0.459712
C -1.440502 0.012392 -0.664842
C -5.233972 -0.052175 0.487204
C -0.089645 -0.113364 0.075834
C -6.589383 0.051895 -0.247719
C 1.129651 0.033779 -0.867027
C -7.806896 -0.010956 0.702942
C 2.459208 -0.116026 -0.110394
C -9.157604 0.095186 -0.037581
C 5.366242 -0.131353 -0.093314
C 7.313968 -1.643779 0.245717
C 5.040245 1.880571 1.235784
H -2.621612 -1.052028 0.827941
H -2.596622 0.710423 1.045760
H -4.088016 -0.787337 -1.216054
H -4.047823 0.977667 -1.024010
H -1.508858 -0.778117 -1.440959
H -1.473981 0.981991 -1.204113
H -5.198398 -1.004803 1.056555
H -5.162400 0.761263 1.239564
H -0.044027 -1.095435 0.591014
H -0.034650 0.659899 0.870187
H -6.624114 1.001218 -0.822576
H -6.666778 -0.765729 -0.994915
H 1.070844 -0.725769 -1.671667
H 1.094933 1.025447 -1.360707
H -7.727530 0.805998 1.449175
H -7.771629 -0.959631 1.276895
H 2.545065 0.634428 0.693384
H 2.564392 -1.123635 0.326030
H -9.231038 1.049473 -0.592863
H -9.274160 -0.726794 -0.769159
H -10.010688 0.046296 0.664115
H 5.689481 -1.852405 -1.180594
H 8.002179 -0.782426 0.308533
H 7.803164 -2.464437 -0.305968
H 7.103886 -1.972834 1.281584
H 4.432868 1.772603 2.156877
H 4.386276 2.260966 0.421242
H 5.811812 2.643598 1.448462


