%chk=000005703.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005703

0 1
 S   0.4496000       1.681400     -0.2398000    
 O   0.1331000      -2.086600      0.3019000    
 N  -0.4084000      0.1854000     -2.5200000E-02
 N    3.196500       1.493100     -0.2140000    
 C    1.857400     -0.4920000      7.2300002E-02
 C   -1.796000      0.1396000     -2.0199999E-02
 C   0.4492000     -0.9180000      0.1337000    
 C    2.012200      0.8645000     -0.1232000    
 C    2.977300      -1.296500      0.1885000    
 C   -2.465000      -1.004000     -0.4672000    
 C   -2.534800       1.237700      0.4309000    
 C    4.226400     -0.6880000      0.1008000    
 C   -3.859200      -1.049000     -0.4631000    
 C   -3.929000       1.192700      0.4350000    
 C    4.281900      0.6904000     -9.8300003E-02
 C   -4.591100      4.9300000E-02 -1.1900000E-02
 H    2.896400      -2.366800      0.3430000    
 H   -1.936700      -1.866000     -0.8625000    
 H   -2.063900       2.139700      0.8116000    
 H    5.135900      -1.272600      0.1851000    
 H   -4.375500      -1.935800     -0.8192000    
 H   -4.499400       2.045600      0.7910000    
 H    5.238300       1.198200     -0.1717000    
 H   -5.676600      1.4500000E-02 -9.4999997E-03


%chk=000005703-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005703

0 1
S 0.449553 1.733426 0.252409
O 0.121518 -2.203066 -0.260330
N -0.393976 0.105958 0.032890
N 3.216301 1.527668 0.255545
C 1.885266 -0.523628 -0.024786
C -1.825366 0.087075 0.016796
C 0.488446 -0.999537 -0.101016
C 2.045538 0.867459 0.157614
C 3.052231 -1.312409 -0.114805
C -2.543576 -1.133656 -0.148158
C -2.548682 1.301691 0.166926
C 4.300214 -0.659267 -0.016845
C -3.953679 -1.113285 -0.159508
C -3.957794 1.300879 0.152608
C 4.336926 0.748486 0.166255
C -4.673157 0.093405 -0.010618
H 2.961046 -2.394332 -0.255974
H -1.995290 -2.068834 -0.263742
H -2.021992 2.253743 0.295377
H 5.237264 -1.219251 -0.079629
H -4.490973 -2.059645 -0.287145
H -4.493736 2.248944 0.270112
H 5.290543 1.280686 0.245512
H -5.768028 0.094290 -0.021486


