%chk=000064314.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064314

0 1
 S    3.868800     -0.9382000      1.0500000E-02
 N   0.2906000      0.9714000     -6.2000002E-03
 N    6.503400     -0.8610000     -9.6000005E-03
 N    5.412300       1.233800     -1.1000000E-03
 C   -1.081000      0.4660000      2.2000000E-03
 C   -2.769000     -0.9340000      -1.255100    
 C   -2.779400     -0.9152000       1.266100    
 C   -3.521300       1.127300     -1.2900000E-02
 C   -1.322800     -0.4056000      -1.249600    
 C   -1.333200     -0.3869000       1.264800    
 C   -2.073400       1.650600     -1.0700000E-02
 C   -3.005400      -1.775100      1.0900000E-02
 C   -3.743000      0.2565000      -1.261400    
 C   -3.753300      0.2752000       1.246600    
 C    1.244900     -0.1266000     -1.1700000E-02
 C    2.665800      0.4225000      1.7500000E-02
 C    5.395700     -6.0800001E-02 -1.9999999E-04
 H   -2.934900      -1.550900      -2.145600    
 H   -2.952800      -1.518700       2.164300    
 H   -4.219400       1.971700     -2.2100000E-02
 H   -1.135700      0.1701000      -2.165500    
 H  -0.6793000      -1.290500      -1.286700    
 H   -1.154500      0.2035000       2.172900    
 H  -0.6888000      -1.269500       1.323400    
 H   -1.917100       2.293000      0.8660000    
 H   -1.908700       2.279300     -0.8959000    
 H   -2.328600      -2.638200      2.0099999E-02
 H   -4.027700      -2.173100      9.6000005E-03
 H   -3.595100      0.8565000      -2.167600    
 H   -4.777700     -0.1066000      -1.285200    
 H   -3.612900      0.8887000       2.145000    
 H   -4.788300     -8.7700002E-02   1.267400    
 H   0.4472000       1.558800      0.8127000    
 H    1.168300     -0.7295000     -0.9204000    
 H    1.143600     -0.7775000      0.8599000    
 H    2.820900       1.026500      0.9188000    
 H    2.839900       1.057600     -0.8585000    
 H    7.438800     -0.4693000     -1.7400000E-02
 H    6.422100      -1.871900     -9.3999999E-03
 H    6.387600       1.552000     -8.8000000E-03


%chk=000064314-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000064314

0 1
S 4.277878 -0.660963 -1.162339
N 0.424990 0.787534 -0.577821
N 6.126892 -0.711709 0.786421
N 4.364885 0.946466 1.068856
C -0.953640 0.326465 -0.246954
C -2.985057 -0.975800 -1.081547
C -2.518305 -0.845606 1.409113
C -3.319082 1.209523 0.157846
C -1.513201 -0.578464 -1.381789
C -1.046555 -0.449550 1.107275
C -1.847914 1.594671 -0.148055
C -3.051593 -1.749136 0.264229
C -3.857750 0.304865 -0.983165
C -3.386167 0.438050 1.504773
C 1.534240 -0.192008 -0.539564
C 2.734014 0.420221 -1.282051
C 4.966381 -0.024576 0.438910
H -3.362154 -1.620796 -1.899980
H -2.562859 -1.396727 2.369913
H -3.931631 2.130532 0.224191
H -1.441403 -0.027524 -2.339525
H -0.895535 -1.493626 -1.481883
H -0.646806 0.188833 1.922582
H -0.414812 -1.359221 1.063245
H -1.456807 2.258111 0.653036
H -1.779772 2.153348 -1.101971
H -2.447120 -2.676655 0.200847
H -4.096501 -2.053511 0.476079
H -3.834607 0.853593 -1.946042
H -4.913686 0.030850 -0.785283
H -3.020963 1.082394 2.330128
H -4.436899 0.171463 1.737327
H 0.667588 1.621888 -0.022416
H 1.214673 -1.118864 -1.048637
H 1.858611 -0.468579 0.488432
H 3.024043 1.381894 -0.824886
H 2.531144 0.549221 -2.357024
H 6.629387 -0.472182 1.638608
H 6.495205 -1.456710 0.197447
H 4.817485 1.256486 1.948776


