%chk=000005228.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005228

0 1
 S   -3.392100       3.024900     -6.9499999E-02
 F    5.440300      0.4182000      3.7900001E-02
 N   -2.196400      0.7547000     -4.3000001E-02
 N  -0.6777000       2.371300     -4.3900002E-02
 N  -0.6183000      -4.117500      9.3999999E-03
 C   -3.572400      0.3180000     -9.7000003E-02
 C   -1.014800      0.1013000     -2.1400001E-02
 C   -1.952000       2.087700     -5.4099999E-02
 C   -4.429700       1.537500      0.2644000    
 C  -7.9800002E-02   1.123300     -2.1100000E-02
 C  -0.8776000      -1.334500     -1.1400000E-02
 C    1.341500      0.9420000     -5.9000002E-03
 C  -0.8202000      -2.021100       1.196300    
 C  -0.8057000      -2.037500      -1.208800    
 C    2.048000      0.8433000      -1.206300    
 C    2.024700      0.8632000       1.209500    
 C    3.431400      0.6663000      -1.191400    
 C    3.408300      0.6864000       1.224500    
 C  -0.6914000      -3.399900       1.152800    
 C  -0.6776000      -3.415800      -1.144700    
 C    4.111700      0.5881000      2.3900000E-02
 H   -3.725200     -0.5080000      0.6031000    
 H   -3.768100     -2.0800000E-02  -1.119900    
 H   -5.361300       1.568000     -0.3074000    
 H   -4.673100       1.530100       1.332100    
 H  -0.8737000      -1.507300       2.150800    
 H  -0.8477000      -1.536900      -2.170700    
 H    1.533200      0.9022000      -2.162500    
 H    1.491400      0.9378000       2.154400    
 H    3.979400      0.5894000      -2.125800    
 H    3.938200      0.6252000       2.170400    
 H  -0.6421000      -3.982100       2.067000    
 H  -0.6174000      -4.010600      -2.050100    


%chk=000005228-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005228

0 1
S -3.357369 2.958298 -1.143418
F 5.670278 0.860503 0.164282
N -2.210037 0.623176 -0.487415
N -0.603038 2.216742 -0.642273
N -0.907011 -4.154182 1.214241
C -3.621821 0.222446 -0.610578
C -0.996000 -0.033968 -0.177141
C -1.906472 1.952921 -0.744290
C -4.436900 1.532503 -0.445006
C -0.005358 0.978036 -0.296402
C -0.955210 -1.433165 0.273654
C 1.462595 0.906086 -0.168394
C -0.140120 -1.829047 1.372534
C -1.745095 -2.449849 -0.335715
C 2.180343 2.097621 0.134638
C 2.194801 -0.294303 -0.385625
C 3.584837 2.092534 0.249442
C 3.600187 -0.317950 -0.272387
C -0.146087 -3.173892 1.794480
C -1.689236 -3.769792 0.161729
C 4.264281 0.878367 0.049471
H -3.893029 -0.509707 0.168504
H -3.802957 -0.230887 -1.604034
H -5.377618 1.508369 -1.013154
H -4.631707 1.758901 0.614176
H 0.478652 -1.094343 1.895701
H -2.368480 -2.231723 -1.209211
H 1.616452 3.025452 0.265955
H 1.671699 -1.213916 -0.663539
H 4.144374 3.002501 0.484299
H 4.172651 -1.234235 -0.442528
H 0.473803 -3.493079 2.639683
H -2.287605 -4.563520 -0.300081


