%chk=000158953.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158953

0 1
 S   -2.168000       1.181000      1.9999999E-04
 P    2.075700      0.2155000      0.3675000    
 O    2.662500      0.8159000      -1.022500    
 O    2.614900      -1.315600      0.3378000    
 O    2.571100      0.9841000       1.563700    
 O   -2.745100       1.802600       1.180800    
 O   -2.561300       1.665800      -1.312500    
 O   -1.768800      -2.587000      0.2367000    
 N  -0.4646000       1.351600      0.1165000    
 N  -0.1403000      -1.028100      0.2724000    
 N   -2.466400     -0.4195000      6.6200003E-02
 C   0.3181000      0.1777000      0.2396000    
 C   0.1016000       2.715400      8.3999999E-02
 C   -1.490100      -1.260900      0.1852000    
 C    2.395500      0.1521000      -2.245800    
 C    4.010300      -1.544600      0.4278000    
 C   -2.945000      -2.905900     -0.4977000    
 H   0.7831000       2.816500     -0.7645000    
 H   0.6380000       2.918400       1.014500    
 H  -0.6833000       3.469800     -2.3700001E-02
 H    1.317300      8.3700001E-02  -2.410400    
 H    2.835700     -0.8476000      -2.244900    
 H    2.839500      0.7313000      -3.059200    
 H    4.373100      -1.229500       1.409500    
 H    4.541700     -0.9984000     -0.3555000    
 H    4.198100      -2.614100      0.3056000    
 H   -2.953100      -3.988400     -0.6579000    
 H   -2.957600      -2.427400      -1.483700    
 H   -3.839500      -2.647500      7.8299999E-02


%chk=000158953-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000158953

0 1
S -2.279160 1.037563 0.844436
P 2.217091 0.588688 -0.566752
O 2.526207 -0.108880 -2.104174
O 2.753503 -0.557855 0.626352
O 2.840203 2.049249 -0.443086
O -2.366260 0.709668 2.417018
O -3.035700 2.340919 0.283246
O -1.787011 -2.131992 -1.491767
N -0.315192 1.365376 0.460578
N -0.181785 -0.671057 -0.820524
N -2.589573 -0.422171 -0.172847
C 0.325120 0.430090 -0.252576
C 0.170553 2.614029 1.065965
C -1.513273 -0.994550 -0.769329
C 2.421850 -1.572330 -2.363133
C 4.147690 -0.437615 1.127952
C -3.196926 -2.603573 -1.524454
H -0.522062 3.431256 0.798752
H 1.177540 2.847405 0.671939
H 0.209815 2.512591 2.164474
H 1.376799 -1.823204 -2.596588
H 2.758789 -2.151735 -1.485926
H 3.086251 -1.744999 -3.223711
H 4.158938 -1.018548 2.061672
H 4.403581 0.618674 1.324145
H 4.856960 -0.868648 0.399491
H -3.155534 -3.515216 -2.135610
H -3.843852 -1.838805 -1.984628
H -3.551460 -2.817431 -0.502913


