%chk=000099448.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099448

0 1
 S   0.6540000      -1.205200     -0.5462000    
 N    1.921400       1.128700     -0.3773000    
 N    4.384000      1.9900000E-02  0.3797000    
 C   -3.136600      0.3047000      0.1725000    
 C   -4.523200     -0.3076000     -3.8199998E-02
 C   -2.030400     -0.6710000     -0.2410000    
 C   -5.666800      0.6369000      0.3380000    
 C  -0.6521000     -4.0600002E-02 -6.1600000E-02
 C   -7.046900      5.9700001E-02  6.4000003E-02
 C    2.078400     -0.2089000     -0.2326000    
 C    3.300000     -0.7450000      0.1418000    
 C    3.498100      -2.214100      0.3075000    
 C    3.005300       1.893500     -0.1391000    
 C    4.214800       1.349000      0.2326000    
 H   -3.013300      0.5792000       1.227000    
 H   -3.052700       1.227200     -0.4146000    
 H   -4.608800      -1.227800      0.5529000    
 H   -4.632000     -0.5969000      -1.091000    
 H   -2.110600      -1.582700      0.3644000    
 H   -2.177300     -0.9595000      -1.289600    
 H   -5.561700       1.574600     -0.2208000    
 H   -5.591700      0.8914000       1.401900    
 H  -0.5908000      0.8599000     -0.6820000    
 H  -0.5048000      0.2492000      0.9845000    
 H   -7.203600     -0.8622000      0.6328000    
 H   -7.170800     -0.1674000     -0.9996000    
 H   -7.822900      0.7753000      0.3528000    
 H    3.312300      -2.741600     -0.6334000    
 H    4.528700      -2.435800      0.6066000    
 H    2.841100      -2.610800       1.088100    
 H    2.870200       2.961500     -0.2571000    
 H    5.085300       1.964200      0.4237000    


%chk=000099448-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099448

0 1
S 0.676887 -1.244910 0.012643
N 1.995199 1.166036 0.184607
N 4.572863 -0.020069 0.091812
C -3.235623 0.360508 0.098229
C -4.620230 -0.320850 0.011453
C -2.065195 -0.650098 0.022953
C -5.795930 0.679965 0.087311
C -0.704237 0.058224 0.105742
C -7.176156 -0.005984 -0.002435
C 2.155033 -0.179007 0.086822
C 3.453416 -0.796781 0.039511
C 3.626119 -2.290348 -0.067436
C 3.130489 1.925513 0.235852
C 4.410130 1.337788 0.189689
H -3.167727 0.934265 1.045677
H -3.138832 1.099991 -0.723522
H -4.717928 -1.062510 0.831538
H -4.689603 -0.894048 -0.936596
H -2.160378 -1.383200 0.848625
H -2.134685 -1.222602 -0.923305
H -5.696296 1.421588 -0.731510
H -5.726815 1.252345 1.034892
H -0.542128 0.761082 -0.727057
H -0.570599 0.606311 1.052075
H -7.313254 -0.730872 0.822114
H -7.283232 -0.558564 -0.954982
H -7.998835 0.730207 0.055026
H 3.152082 -2.682233 -0.987569
H 4.699509 -2.532707 -0.081529
H 3.146337 -2.811077 0.783142
H 2.994011 3.008937 0.313594
H 5.322209 1.940898 0.229336


