%chk=000040240.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040240

0 1
 S   0.8599000      0.9053000      -2.492600    
 S   -3.167000     -0.6462000     -0.3812000    
 S    5.306400      -2.216200      0.3991000    
 F    3.315000      -3.739200       1.149700    
 F    2.735300      -1.737600      0.4955000    
 F    3.335400      -3.235100     -0.9721000    
 O    2.331300       1.633600       1.856900    
 O  -0.6681000       2.581100       2.280500    
 O   -1.343800      0.3993000       2.164200    
 O    5.137000      0.8807000      0.6596000    
 N   0.8543000       1.755400      2.2700001E-02
 N    3.551900      0.7384000      -1.030400    
 N   -5.696100      -1.706400     -1.4400000E-02
 N   -5.707700      0.4522000     -0.2215000    
 N   -6.984100      -1.349400      8.6800002E-02
 N   -6.984900     -2.8100001E-02 -4.0199999E-02
 C    1.386600       2.131900      -1.274200    
 C    2.785300       1.925400     -0.6527000    
 C    2.025300       1.771600      0.6956000    
 C  -0.4603000       1.507900      0.2560000    
 C   -1.333400       1.307400     -0.7598000    
 C  -0.9143000       1.239700      -2.226700    
 C   -2.819900       1.108500     -0.5856000    
 C  -0.8801000       1.403000       1.661400    
 C    4.678700      0.3126000     -0.3304000    
 C    5.297900     -0.9464000     -0.8885000    
 C   -4.926300     -0.6029000     -0.2019000    
 C    3.601000      -2.753500      0.2661000    
 C   -5.315400      -3.093100      7.8199998E-02
 H    1.167700       3.173000      -1.539400    
 H    3.407400       2.827500     -0.6897000    
 H   -1.174500       2.182100      -2.721100    
 H   -1.453000      0.4364000      -2.739800    
 H    3.257000      0.1930000      -1.836600    
 H   -3.362300       1.508900      -1.449900    
 H   -3.182000       1.658100      0.2905000    
 H    6.330700     -0.7138000      -1.166600    
 H    4.787300      -1.306000      -1.786100    
 H  -0.9353000       2.555800       3.224000    
 H   -4.824900      -3.382200     -0.8544000    
 H   -6.206900      -3.707300      0.2309000    
 H   -4.637400      -3.211700      0.9268000    


%chk=000040240-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040240

0 1
S 0.388715 0.610809 -1.890247
S -3.902627 0.036996 0.851419
S 5.617620 -1.964986 -0.157402
F 4.341423 -4.209438 0.522382
F 2.961372 -2.644606 -0.391708
F 4.342658 -3.833287 -1.719327
O 1.940119 0.954850 2.323903
O -0.249749 2.936745 2.901212
O -2.326379 1.905002 2.756440
O 5.101197 1.641939 -1.337164
N 0.563148 1.933460 0.544827
N 3.268153 0.398893 -0.607688
N -5.112966 -1.975900 -0.671391
N -4.062932 -0.475998 -1.939779
N -5.288213 -2.382968 -2.018733
N -4.651795 -1.463679 -2.761159
C 1.172382 1.945461 -0.804412
C 2.547412 1.558780 -0.140446
C 1.729026 1.404237 1.190901
C -0.818193 1.912395 0.824606
C -1.737184 1.630054 -0.172343
C -1.351867 1.308324 -1.607137
C -3.222826 1.675438 0.068079
C -1.230386 2.217939 2.225123
C 4.532193 0.524568 -1.162640
C 5.212513 -0.775311 -1.600440
C -4.369067 -0.820401 -0.655440
C 4.277883 -3.211127 -0.450043
C -5.683407 -2.751527 0.430964
H 1.113644 2.916233 -1.318489
H 3.249530 2.410287 -0.128351
H -1.447829 2.215314 -2.234286
H -2.056011 0.559724 -2.017010
H 2.855521 -0.529937 -0.479684
H -3.783103 1.791803 -0.872150
H -3.529988 2.424766 0.809654
H 6.184335 -0.520103 -2.044886
H 4.611867 -1.335527 -2.337087
H -0.515908 3.052715 3.852742
H -4.885081 -3.180477 1.060184
H -6.278714 -3.565111 -0.007679
H -6.332786 -2.112646 1.053384


