%chk=000090059.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090059

0 1
 S   -1.287400      -2.918600     -0.5840000    
 N  -0.3050000     -0.4280000     -0.3803000    
 N    1.851600     -2.9999999E-02 -0.1527000    
 N   0.9494000      -1.072200     -0.4159000    
 N    1.247900       1.186300     -2.6100000E-02
 N   -2.521100     -0.8718000      0.4016000    
 C  -2.9700000E-02  0.9113000     -0.1698000    
 C   -1.372500      -1.248500     -0.1489000    
 C   -1.033700       1.994500     -0.1409000    
 C    3.245000     -0.2073000     -2.0800000E-02
 C   -2.882800      -3.148700      1.7000000E-03
 C   -3.375100      -1.954200      0.4845000    
 C  -0.7990000       3.142900      0.6153000    
 C   -2.216200       1.869300     -0.8702000    
 C    4.086200      0.8854000      0.2523000    
 C    3.823800      -1.480800     -0.1599000    
 C   -3.515100      -4.481400     -6.3800000E-02
 C   -4.713500      -1.740400       1.072200    
 C   -1.746900       4.165900      0.6425000    
 C   -3.164000       2.892400     -0.8430000    
 C    5.464000      0.7100000      0.3821000    
 C    5.201600      -1.656000     -2.9999999E-02
 C   -2.929200       4.040700     -8.6700000E-02
 C    6.021500     -0.5606000      0.2409000    
 H    1.106200      -1.395700      -1.371000    
 H   0.1123000       3.258900       1.196100    
 H   -2.411000       1.005800      -1.499100    
 H    3.683100       1.888500      0.3681000    
 H    3.216300      -2.357400     -0.3705000    
 H   -3.612800      -4.815000      -1.102400    
 H   -2.921600      -5.222800      0.4818000    
 H   -4.517500      -4.476000      0.3758000    
 H   -4.845800      -2.357500       1.966600    
 H   -4.854700     -0.6942000       1.362500    
 H   -5.497500      -1.996800      0.3526000    
 H   -1.564900       5.059600       1.232200    
 H   -4.080900       2.798900      -1.417600    
 H    6.102800       1.562700      0.5931000    
 H    5.636400      -2.645300     -0.1396000    
 H   -3.666500       4.837900     -6.7000002E-02
 H    7.094300     -0.6972000      0.3420000    


%chk=000090059-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090059

0 1
S -1.062312 -2.999234 -0.659496
N -0.366846 -0.286486 -0.902082
N 1.721374 -0.139893 -0.049223
N 0.952380 -0.865516 -1.102825
N 1.099399 1.083532 0.232408
N -2.468164 -0.875197 0.160230
C -0.138524 1.017174 -0.254766
C -1.328886 -1.204331 -0.405842
C -1.114293 2.100099 -0.212478
C 3.112408 -0.342587 0.057365
C -2.704145 -3.236055 0.117636
C -3.254111 -2.011120 0.469291
C -0.873018 3.230731 0.620035
C -2.285830 2.064471 -1.017009
C 3.934030 0.644562 0.666781
C 3.680063 -1.552652 -0.426727
C -3.231783 -4.631554 0.301311
C -4.579769 -1.770119 1.144322
C -1.787682 4.299604 0.645137
C -3.194085 3.141885 -0.990005
C 5.317655 0.409000 0.787224
C 5.069113 -1.763371 -0.300039
C -2.952314 4.262114 -0.161005
C 5.897226 -0.789886 0.305374
H 1.304988 -0.515949 -2.026092
H 0.029809 3.251909 1.238736
H -2.480536 1.193187 -1.648273
H 3.479225 1.568578 1.032415
H 3.033392 -2.316763 -0.868709
H -3.308743 -5.173442 -0.659980
H -2.585221 -5.231715 0.969163
H -4.239266 -4.604437 0.749879
H -4.430307 -1.244567 2.104839
H -5.219052 -1.123258 0.516398
H -5.121002 -2.709232 1.342281
H -1.596274 5.163045 1.291691
H -4.093944 3.106192 -1.613671
H 5.948999 1.170763 1.258404
H 5.503054 -2.698465 -0.671484
H -3.663088 5.095692 -0.140500
H 6.974082 -0.962109 0.402987


