%chk=000005485.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005485

1 1
 S    2.364700       2.327800      -1.177600    
 S    2.103700      -1.824700       1.517400    
 N   -2.340600      0.5278000     -0.5121000    
 C   -2.785200     -0.9194000     -0.8567000    
 C   -2.297600      0.7614000       1.007800    
 C  -0.9335000      0.8031000      -1.117100    
 C   -4.112700      -1.253300     -0.1601000    
 C   -1.688400      -1.944100     -0.4947000    
 C   -3.620800      0.4084000       1.676500    
 C   -4.089200      -1.000700       1.343300    
 C  -0.3463000      -1.644400      -1.155200    
 C   -3.285700       1.550100      -1.170200    
 C   8.7700002E-02 -0.2516000     -0.8135000    
 C    1.279200      2.7700000E-02 -0.2674000    
 C    1.597900       1.407300      2.3000000E-02
 C    2.186100      -1.064700      3.5000001E-03
 C    1.354800       2.085900       1.172300    
 C    3.128600      -1.579300     -0.8256000    
 C    1.816000       3.430700       1.076900    
 C    3.826000      -2.652600     -0.1996000    
 C    2.386500       3.696200     -0.1485000    
 C    3.368800      -2.891600       1.077700    
 H   -2.934800     -0.9400000      -1.944200    
 H   -2.046000       1.815100       1.173000    
 H   -1.490200      0.1471000       1.419200    
 H  -0.6795000       1.819400     -0.8074000    
 H   -1.072800      0.8312000      -2.206300    
 H   -4.369600      -2.304100     -0.3428000    
 H   -4.925600     -0.6710000     -0.6092000    
 H   -2.017700      -2.940800     -0.8151000    
 H   -1.546200      -2.006000      0.5903000    
 H   -4.395300       1.130100       1.393800    
 H   -3.507300      0.5018000       2.763100    
 H   -3.434400      -1.729400       1.835000    
 H   -5.091700      -1.160700       1.756800    
 H  -0.4589000      -1.713000      -2.245300    
 H   0.3509000      -2.439400     -0.8832000    
 H   -2.916100       2.554600     -0.9429000    
 H   -3.282100       1.377300      -2.250500    
 H   -4.296300       1.427300     -0.7792000    
 H   0.8743000       1.667500       2.047900    
 H    3.328200      -1.226700      -1.829700    
 H    1.733100       4.165900       1.866700    
 H    4.622300      -3.220600     -0.6626000    
 H    2.814800       4.628400     -0.4887000    
 H    3.717000      -3.641800       1.773500    


%chk=000005485-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005485

1 1
S 1.600491 2.641487 -1.565776
S 1.368968 -2.440823 1.058663
N -2.503141 0.502009 -0.537994
C -3.015302 -0.918828 -0.966067
C -2.289840 0.571247 0.988133
C -1.140237 0.835669 -1.264744
C -4.293684 -1.284728 -0.173168
C -1.907636 -1.989321 -0.831128
C -3.548641 0.183472 1.781572
C -4.096472 -1.199701 1.359884
C -0.572788 -1.580669 -1.499544
C -3.493258 1.571065 -0.979857
C -0.106334 -0.224603 -1.005068
C 1.114773 0.042424 -0.396362
C 1.639402 1.413940 -0.213630
C 2.009672 -1.012444 0.117535
C 2.315950 1.945528 0.884389
C 3.403871 -1.052072 0.096918
C 2.762992 3.301167 0.710629
C 3.979179 -2.185145 0.768876
C 2.464332 3.825873 -0.537764
C 3.037612 -3.023579 1.345275
H -3.256037 -0.796333 -2.041032
H -1.963947 1.603022 1.209559
H -1.448444 -0.104552 1.213100
H -0.851152 1.833675 -0.900499
H -1.412546 0.906544 -2.335706
H -4.571702 -2.314883 -0.462559
H -5.141394 -0.645654 -0.483312
H -2.303068 -2.904001 -1.311404
H -1.729930 -2.245726 0.228246
H -4.331980 0.957839 1.678887
H -3.270273 0.173546 2.851267
H -3.406898 -1.993882 1.701908
H -5.060638 -1.388143 1.863439
H -0.732542 -1.509796 -2.597942
H 0.181483 -2.365608 -1.340766
H -3.079390 2.560581 -0.729713
H -3.636937 1.496411 -2.069046
H -4.457274 1.439660 -0.473037
H 2.487357 1.367913 1.796106
H 3.998818 -0.283326 -0.401943
H 3.296353 3.865448 1.478584
H 5.053476 -2.371821 0.827190
H 2.697287 4.807922 -0.946220
H 3.185570 -3.938605 1.916420


