%chk=000114266.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114266

1 1
 S    2.140600       3.374000      0.4585000    
 S   -5.464800     -0.9411000      7.1999997E-02
 F    4.383400      -2.927600      0.2468000    
 F    2.265500      -3.232500      0.6012000    
 F    2.987800      -2.884700      -1.420200    
 O   -6.070200      -1.513400       1.474400    
 O   -5.190000      -2.061500     -0.8092000    
 O   -6.274900      0.1833000     -0.3606000    
 N   0.4917000       1.711000     -0.4021000    
 C  -0.7369000       1.133200     -0.9378000    
 C   -1.704300      0.6873000      0.1567000    
 C   -3.017400      0.1392000     -0.4031000    
 C    1.601300      0.9582000     -0.1251000    
 C   0.5928000       2.992100     -0.1591000    
 C   -3.938700     -0.3292000      0.7131000    
 C    2.646900       1.725000      0.3741000    
 C    1.741500     -0.4262000     -0.2980000    
 C    2.963300      -1.013100      4.6000000E-02
 C    3.873400       1.140800      0.7201000    
 C  -0.4490000       4.010800     -0.3687000    
 C    4.011200     -0.2410000      0.5467000    
 C    3.146800      -2.484700     -0.1256000    
 H  -0.4971000      0.2951000      -1.601800    
 H   -1.229500       1.862400      -1.592600    
 H   -1.220500     -8.0499999E-02  0.7727000    
 H   -1.917600       1.527100      0.8282000    
 H   -3.515400      0.9149000     -0.9973000    
 H   -2.804600     -0.6921000      -1.086000    
 H   -4.172700      0.4883000       1.402400    
 H   -3.468200      -1.143500       1.273900    
 H   0.9372000      -1.048200     -0.6773000    
 H    4.693600       1.734800       1.110400    
 H  -0.1503000       4.990100      2.0600000E-02
 H  -0.6567000       4.135700      -1.436200    
 H   -1.379800       3.736900      0.1361000    
 H    4.960300     -0.6999000      0.8134000    
 H   -5.634200      -2.325500       1.824900    


%chk=000114266-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114266

1 1
S 2.246171 3.523472 0.478348
S -5.499276 -1.113163 -0.018107
F 4.446876 -2.774890 -0.727605
F 3.229211 -3.100517 1.155604
F 2.194528 -3.060585 -0.865426
O -6.310869 -1.242115 1.638085
O -5.404357 -2.561175 -0.728560
O -6.062121 0.159244 -0.844757
N 0.497399 1.786726 -0.410761
C -0.776609 1.175146 -0.908461
C -1.622452 0.560911 0.233612
C -2.934739 -0.023109 -0.347341
C 1.649139 0.996701 -0.126990
C 0.634584 3.109030 -0.152776
C -3.805216 -0.626498 0.758877
C 2.725314 1.777709 0.370876
C 1.791252 -0.394443 -0.304259
C 3.029441 -0.968324 0.032010
C 3.965310 1.202593 0.705034
C -0.413446 4.148862 -0.372488
C 4.107848 -0.187188 0.531774
C 3.222392 -2.463070 -0.107459
H -0.505786 0.412494 -1.658947
H -1.348137 1.957925 -1.432812
H -1.048697 -0.228732 0.754028
H -1.857974 1.339651 0.984464
H -3.508041 0.775555 -0.858046
H -2.703421 -0.797027 -1.104665
H -4.089634 0.087776 1.547006
H -3.434626 -1.570414 1.186557
H 0.986386 -1.020696 -0.696728
H 4.795759 1.803591 1.084005
H -0.087662 5.124919 0.018338
H -0.626826 4.278288 -1.451149
H -1.361482 3.884084 0.129828
H 5.059464 -0.669032 0.774906
H -7.235200 -1.608199 1.525483


