%chk=000018498.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018498

0 1
 S   -1.077800      -2.572900     -0.1883000    
 O    1.238400     -0.7893000      -1.236000    
 O  -0.7794000      -2.825000      -1.584800    
 O   -1.639200      -3.619400      0.6440000    
 O   -5.603500       2.238900       1.075300    
 N    3.328600      6.0800001E-02  0.3649000    
 N    2.293100     -0.7349000      0.8224000    
 N   0.3050000      -1.923800      0.5788000    
 C    5.256800       2.499100     -0.2376000    
 C    5.783500       1.208400     -0.8611000    
 C    3.789300       2.470200      0.1800000    
 C    5.874900      7.3600002E-02  0.1546000    
 C    3.383200       1.319700       1.105100    
 C    4.573900     -0.7081000      0.3614000    
 C    1.297400      -1.106700     -5.1500000E-02
 C   -2.187900      -1.200100     -0.1022000    
 C   -2.205900     -0.2799000      -1.136200    
 C   -3.017800      -1.069900      0.9979000    
 C   -3.924300      0.9513000      3.3199999E-02
 C   -3.080900      0.8042000      -1.067800    
 C   -3.892900      1.4300000E-02   1.066000    
 C   -4.837200       2.081000      0.1040000    
 C   -4.877400       3.108600      -1.022000    
 H    5.872100       2.760800      0.6325000    
 H    5.390200       3.314300     -0.9597000    
 H    5.180100      0.9167000      -1.728500    
 H    6.794600       1.411500      -1.235700    
 H    3.564200       3.417000      0.6874000    
 H    3.159300       2.455500     -0.7194000    
 H    6.638500     -0.6382000     -0.1841000    
 H    6.231300      0.4622000       1.116900    
 H    4.029400       1.259100       1.989400    
 H    2.381500       1.572700       1.480800    
 H    4.501300      -1.454800     -0.4406000    
 H    4.681000      -1.275200       1.296900    
 H    2.289400      -1.025100       1.795200    
 H   0.4522000      -2.176100       1.564300    
 H   -1.554400     -0.3752000      -1.999300    
 H   -3.002700      -1.783400       1.815800    
 H   -3.072400       1.510100      -1.892400    
 H   -4.539000      0.1084000       1.934900    
 H   -5.173700       2.630900      -1.959500    
 H   -3.907000       3.602400      -1.118200    
 H   -5.623200       3.873300     -0.7821000    


%chk=000018498-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018498

0 1
S -1.044383 -2.574556 0.209639
O 1.048830 -0.375383 -0.527630
O -0.625941 -3.121434 -1.251095
O -1.671725 -3.566062 1.336783
O -5.861640 2.306413 0.506411
N 3.582740 -0.131145 0.746725
N 2.571794 -0.996186 1.174185
N 0.427454 -1.928816 1.108426
C 4.944198 2.605500 -0.147451
C 5.166447 1.468465 -1.178604
C 3.798056 2.365986 0.862060
C 5.729587 0.169210 -0.545340
C 3.879311 1.023917 1.629174
C 4.658269 -0.807892 -0.011669
C 1.346508 -1.047966 0.495001
C -2.183229 -1.074696 0.031632
C -1.978448 -0.193121 -1.039485
C -3.221358 -0.961088 0.971758
C -3.948933 1.049714 -0.241746
C -2.884157 0.882299 -1.167492
C -4.109713 0.121760 0.823493
C -4.935501 2.188802 -0.346605
C -4.793674 3.183916 -1.490483
H 5.894138 2.764703 0.406180
H 4.738897 3.550218 -0.689548
H 4.217390 1.245345 -1.703662
H 5.882663 1.831257 -1.941889
H 3.789406 3.196224 1.598423
H 2.825742 2.379328 0.334072
H 6.321017 -0.392864 -1.293972
H 6.437800 0.440614 0.262919
H 4.873150 0.918442 2.121810
H 3.117254 1.020254 2.429106
H 4.172760 -1.321834 -0.863004
H 5.163937 -1.593933 0.605033
H 2.774591 -1.701007 1.900180
H 0.619997 -2.487901 1.948409
H -1.137868 -0.332579 -1.723394
H -3.331359 -1.702714 1.769218
H -2.746253 1.588502 -1.991748
H -4.942197 0.271282 1.518333
H -4.872570 2.677062 -2.470374
H -3.810646 3.689908 -1.458214
H -5.589741 3.939058 -1.410868


