%chk=000173547.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173547

0 1
 S  -0.6599000      0.2647000     -0.8646000    
 N    4.466500      0.3216000     -2.0000001E-03
 N   -2.980800      0.2714000      0.3936000    
 N   -1.940000      -1.862100     -5.1000002E-03
 C    2.041600      0.2556000     -0.3649000    
 C   0.7142000     -0.2637000      0.1825000    
 C    3.206100     -0.1965000      0.5170000    
 C   -2.043000     -0.4950000     -5.0700001E-02
 C   -2.804800       1.704100      0.1942000    
 H    2.022000       1.352400     -0.4108000    
 H    2.194800     -0.1123000      -1.388000    
 H   0.5487000      0.1141000       1.197100    
 H   0.7438000      -1.356800      0.2309000    
 H    3.256200      -1.290000      0.5531000    
 H    3.069200      0.1607000       1.543300    
 H    4.425700       1.339200     -4.7600001E-02
 H    4.597900      4.0000002E-03 -0.9618000    
 H   -1.162500      -2.351400     -0.4341000    
 H   -2.661400      -2.427100      0.4295000    
 H   -3.675400       2.207400      0.6314000    
 H   -2.803100       1.991700     -0.8631000    
 H   -1.937400       2.107300      0.7287000    


%chk=000173547-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173547

0 1
S -0.539086 -0.323346 -1.359307
N 4.535130 0.503725 0.220642
N -2.774842 0.067948 0.432966
N -2.550231 -2.014558 -0.632711
C 2.096360 0.113853 -0.459779
C 0.673429 -0.065647 0.093118
C 3.145302 0.320313 0.675398
C -2.129508 -0.722409 -0.359758
C -2.434514 1.477444 0.629308
H 2.126918 0.986561 -1.142570
H 2.381187 -0.773931 -1.058915
H 0.348162 0.823650 0.659393
H 0.601868 -0.952477 0.745560
H 3.118974 -0.549119 1.360744
H 2.861435 1.203219 1.280583
H 4.692452 1.359696 -0.320186
H 4.940155 -0.316962 -0.240125
H -1.955619 -2.643749 -1.164013
H -3.436299 -2.332637 -0.242298
H -2.013717 1.631385 1.642848
H -3.357776 2.082489 0.569103
H -1.711381 1.863851 -0.121400


