%chk=000051208.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051208

0 1
 S   0.5875000       1.103500       1.757000    
 F    1.182900       6.013800      0.7845000    
 O   -7.522100      -1.419200      0.4825000    
 O    5.079700      -3.717100      0.2660000    
 N   -1.190000     -0.4941000     -0.3040000    
 N   -3.866100      -1.534100      3.6200002E-02
 C   9.4599999E-02 -0.4077000     -0.9958000    
 C   -2.286900     -7.9800002E-02  -1.187500    
 C   -1.421500      -1.854000      0.1979000    
 C   -3.635200     -0.1738000     -0.4651000    
 C   -2.769600      -1.946700      0.9209000    
 C   0.3168000      0.9635000      -1.655000    
 C    1.279200     -0.8203000     -0.1466000    
 C   -5.151300      -1.621800      0.7265000    
 C   0.5396000       2.241400     -0.8672000    
 C    1.601300     -0.1838000       1.063600    
 C    2.111400      -1.858000     -0.6054000    
 C   0.6848000       2.392000      0.5240000    
 C   -6.294300      -1.305400     -0.2248000    
 C   0.6310000       3.404200      -1.671200    
 C    2.725100     -0.5993000       1.794100    
 C    3.230200      -2.259900      0.1236000    
 C    3.536900      -1.630200       1.323900    
 C   0.8941000       3.682000       1.058900    
 C   0.8452000       4.669500      -1.128000    
 C   0.9759000       4.808600      0.2428000    
 C    4.074500      -3.338000     -0.3679000    
 C    3.746000      -4.035000      -1.684000    
 H   4.5299999E-02  -1.114800      -1.839000    
 H   -2.312300     -0.6832000      -2.104900    
 H   -2.199300      0.9727000      -1.473000    
 H  -0.6559000      -2.151100      0.9230000    
 H   -1.396300      -2.585500     -0.6216000    
 H   -3.671800      0.5593000      0.3522000    
 H   -4.384600      0.1169000      -1.206900    
 H   -2.919900      -2.986300       1.236900    
 H   -2.744900      -1.329000       1.829000    
 H  -0.4438000       1.150400      -2.423100    
 H    1.242800      0.8518000      -2.244400    
 H   -5.193900     -0.9533000       1.596900    
 H   -5.302000      -2.636500       1.117700    
 H    1.858800      -2.337200      -1.547500    
 H   -6.313400      -2.003400      -1.068500    
 H   -6.265600     -0.2826000     -0.6060000    
 H   0.5340000       3.322400      -2.753100    
 H    2.981300     -0.1258000       2.739700    
 H    4.400200      -1.924100       1.914900    
 H    1.000100       3.828000       2.133200    
 H   0.9092000       5.538100      -1.775900    
 H   -8.235800      -1.229900     -0.1502000    
 H    3.782700      -3.320100      -2.510000    
 H    2.768000      -4.519200      -1.621700    
 H    4.494900      -4.810300      -1.874800    


%chk=000051208-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051208

0 1
S 1.456326 1.275877 1.702669
F -0.918936 5.741992 1.213679
O -7.307320 -1.267081 0.440126
O 4.830749 -4.495807 0.352269
N -0.828795 -0.267097 -0.445363
N -3.594512 -1.050104 0.055690
C 0.489596 -0.298222 -1.141456
C -1.930286 0.121510 -1.366454
C -1.170449 -1.552087 0.224689
C -3.260985 0.234088 -0.606005
C -2.500156 -1.426116 0.983670
C 0.901088 1.118084 -1.681066
C 1.595318 -0.880947 -0.268639
C -4.930425 -1.046456 0.698727
C 0.442727 2.309761 -0.857193
C 2.088400 -0.242767 0.901164
C 2.203176 -2.095493 -0.664640
C 0.622277 2.435378 0.545240
C -6.046790 -1.308096 -0.321663
C -0.201732 3.381308 -1.533306
C 3.141580 -0.837718 1.651775
C 3.251512 -2.702293 0.070762
C 3.711641 -2.052761 1.248200
C 0.160191 3.584948 1.238091
C -0.660155 4.540295 -0.875160
C -0.466929 4.605270 0.513686
C 3.894446 -3.994534 -0.339608
C 3.403476 -4.698110 -1.601965
H 0.425594 -0.964973 -2.042791
H -2.044711 -0.629575 -2.189736
H -1.701540 1.101039 -1.818485
H -0.371696 -1.810228 0.940323
H -1.256144 -2.385927 -0.517648
H -3.178671 1.066155 0.138420
H -4.061000 0.497982 -1.321402
H -2.744361 -2.399595 1.447280
H -2.371809 -0.672920 1.801233
H 0.504306 1.240133 -2.705082
H 2.003795 1.120818 -1.781318
H -5.146438 -0.091220 1.234722
H -4.964251 -1.854869 1.451445
H 1.826507 -2.578333 -1.573661
H -5.885316 -2.298881 -0.793335
H -6.043702 -0.532631 -1.117076
H -0.341901 3.299163 -2.617655
H 3.515599 -0.329045 2.547073
H 4.525101 -2.515603 1.816073
H 0.287383 3.690717 2.320050
H -1.149612 5.358579 -1.409336
H -8.064869 -1.466665 -0.164365
H 3.523877 -4.052062 -2.491632
H 2.330919 -4.956495 -1.521855
H 3.985407 -5.620787 -1.746360


