%chk=000041408.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041408

0 1
 S  -0.1453000       4.019400     -0.4990000    
 S   -3.414300      -2.135300     -0.5407000    
 S    3.586700      -1.881100     -0.5209000    
 N   1.2400000E-02 -1.3200000E-02 -2.6900001E-02
 N   -1.356300       6.324300     -9.0200000E-02
 N   -4.849200      -4.302700     -0.1052000    
 N    6.185700      -1.994100     -9.8899998E-02
 N   -2.399100       4.431400      0.8619000    
 N   -2.720600      -4.255600      0.9167000    
 N    5.061600     -0.1673000      0.8892000    
 C   0.3940000       1.326300     -0.4732000    
 C   -1.327600     -0.3493000     -0.5066000    
 C   0.9844000      -1.002600     -0.4904000    
 C  -0.6066000       2.350100      4.8400000E-02
 C   -1.750900      -1.704000      4.7699999E-02
 C    2.368000     -0.6601000      4.7699999E-02
 C   -1.451200       4.987800      0.1776000    
 C   -3.645500      -3.723900      0.1831000    
 C    5.074000      -1.250100      0.1797000    
 H    1.358300       1.628000     -5.5700000E-02
 H   0.4646000       1.373100      -1.568200    
 H   -2.079000      0.3527000     -0.1370000    
 H   -1.368100     -0.3437000      -1.604100    
 H   0.7567000      -1.999300     -0.1031000    
 H   0.9973000      -1.059100      -1.587300    
 H  -0.6565000       2.324300       1.142400    
 H   -1.606200       2.202000     -0.3625000    
 H   -1.112400      -2.514600     -0.3074000    
 H   -1.743100      -1.694200       1.143200    
 H    2.363500     -0.6308000       1.142800    
 H    2.738300      0.2914000     -0.3372000    
 H   -2.051300       6.981900      0.2461000    
 H  -0.5870000       6.698400     -0.6352000    
 H   -5.096000      -5.217900      0.2553000    
 H   -5.532800      -3.832400     -0.6885000    
 H    7.100500      -1.729100      0.2497000    
 H    6.128400      -2.834700     -0.6634000    
 H   -3.057800       5.157000       1.165500    
 H   -3.043000      -5.173800       1.241200    
 H    6.017300      3.3300001E-02   1.203400    


%chk=000041408-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041408

0 1
S 0.339072 4.147242 0.666047
S -3.765211 -1.757331 0.605499
S 3.418657 -2.377172 0.626495
N 0.006011 0.004040 0.326346
N -1.281624 5.743588 -0.762420
N -4.334477 -3.964543 -0.815481
N 5.586281 -1.793946 -0.848770
N -2.159051 3.518705 -0.303704
N -1.973508 -3.629411 -0.321531
N 4.142356 0.098451 -0.334096
C 0.487788 1.368837 0.015341
C -1.411777 -0.258358 -0.009725
C 0.947525 -1.090089 -0.003731
C 0.067636 2.335544 1.138879
C -2.062074 -1.100914 1.103927
C 1.998645 -1.225748 1.113812
C -1.251210 4.454106 -0.235939
C -3.235554 -3.299171 -0.276441
C 4.478009 -1.162113 -0.288859
H 1.589070 1.345434 -0.076726
H 0.077710 1.740855 -0.949948
H -1.937702 0.708420 -0.113668
H -1.511235 -0.801805 -0.975447
H 0.377107 -2.031281 -0.107165
H 1.471075 -0.905564 -0.968186
H 0.646095 2.175005 2.063097
H -1.012154 2.254128 1.342001
H -1.462794 -2.001165 1.315726
H -2.221282 -0.518536 2.025916
H 1.570261 -1.649082 2.036755
H 2.478942 -0.256276 1.321909
H -2.098733 6.070691 -1.273728
H -0.494590 6.379029 -0.643059
H -4.208663 -4.840136 -1.319077
H -5.276654 -3.590642 -0.715658
H 6.281069 -1.254459 -1.360964
H 5.721293 -2.799187 -0.755502
H -3.023795 3.772673 -0.816960
H -1.761091 -4.511173 -0.824611
H 4.790473 0.713852 -0.860356


