%chk=000045927.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045927

0 1
 S   -2.158800     -0.9749000      -2.252300    
 N  -0.1161000      0.1301000     -0.2012000    
 N    4.166400     -0.6519000     -0.4435000    
 C    1.237400      4.5000002E-02 -0.6942000    
 C    2.213500      0.6843000      0.2930000    
 C    3.673800      0.6926000     -0.1693000    
 C  -0.7845000      -1.077400      0.1755000    
 C  -0.5911000       1.444900      9.6100003E-02
 C   -1.719400      -1.666500     -0.6611000    
 C  -0.4648000      -1.637600       1.403200    
 C    4.146700      -1.466300      0.7731000    
 C    5.520100     -0.6021000     -0.9987000    
 C   -1.342600       1.651700       1.241600    
 C  -0.2902000       2.486400     -0.7665000    
 C   -2.350600      -2.844400     -0.2611000    
 C   -1.096000      -2.815500       1.803400    
 C   -1.805700       2.935100       1.532400    
 C  -0.7531000       3.769700     -0.4757000    
 C   -2.038900      -3.418900      0.9713000    
 C   -1.510900       3.994000      0.6737000    
 C   -3.935200     -0.6781000      -2.039600    
 H    1.514200      -1.006200     -0.8499000    
 H    1.333600      0.5022000      -1.686100    
 H    2.121100      0.2132000       1.278500    
 H    1.958600       1.735600      0.4697000    
 H    4.290500       1.197500      0.5859000    
 H    3.732000       1.298500      -1.082900    
 H   0.2663000      -1.179600       2.063200    
 H    4.606000      -2.443900      0.5832000    
 H    4.692300     -0.9953000       1.599000    
 H    3.126800      -1.687900       1.101600    
 H    5.870600      -1.609200      -1.250900    
 H    5.533300     -2.5200000E-02  -1.930100    
 H    6.236300     -0.1510000     -0.3024000    
 H   -1.586100      0.8538000       1.935000    
 H   0.2736000       2.347200      -1.682900    
 H   -3.082000      -3.340900     -0.8939000    
 H  -0.8531000      -3.262900       2.762800    
 H   -2.394800       3.110400       2.427800    
 H  -0.5289000       4.593600      -1.147100    
 H   -2.528700      -4.337100       1.282200    
 H   -1.872400       4.992900      0.8994000    
 H   -4.114500     -6.1500002E-02  -1.154500    
 H   -4.479700      -1.620700      -1.943200    
 H   -4.316000     -0.1478000      -2.916400    


%chk=000045927-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045927

0 1
S -1.018836 -1.933156 -2.124540
N -0.285611 0.368760 -0.003031
N 3.849731 -0.835238 -0.895853
C 1.077881 0.336912 -0.590572
C 2.199658 0.523199 0.460785
C 3.606385 0.434404 -0.168315
C -0.766641 -0.872914 0.546048
C -0.923394 1.597149 0.296060
C -1.090489 -1.989498 -0.282828
C -0.872814 -1.019946 1.956621
C 3.859514 -2.020241 -0.014235
C 5.063544 -0.765994 -1.733710
C -2.267582 1.620571 0.784407
C -0.280410 2.851206 0.060432
C -1.457047 -3.222919 0.311038
C -1.255713 -2.244556 2.539395
C -2.925444 2.840647 1.031698
C -0.956821 4.065166 0.304302
C -1.534615 -3.359360 1.713855
C -2.280911 4.078801 0.796555
C -2.232198 -0.528644 -2.490954
H 1.217047 -0.629553 -1.100752
H 1.156019 1.109703 -1.378609
H 2.079922 -0.238627 1.254514
H 2.104594 1.507765 0.958198
H 4.373373 0.601240 0.634568
H 3.726368 1.259599 -0.898699
H -0.635857 -0.155749 2.587015
H 4.026450 -2.927048 -0.622164
H 4.658076 -1.975404 0.770900
H 2.886495 -2.134147 0.493407
H 5.162509 -1.695799 -2.322183
H 4.981312 0.078426 -2.441454
H 6.006163 -0.630980 -1.142605
H -2.796587 0.678455 0.958503
H 0.746921 2.887049 -0.311919
H -1.705340 -4.065839 -0.342248
H -1.321192 -2.332357 3.629488
H -3.956824 2.821693 1.403206
H -0.435181 5.010236 0.111638
H -1.825238 -4.319239 2.154138
H -2.797761 5.024606 0.988838
H -1.887026 0.398997 -2.015059
H -3.234973 -0.803096 -2.130995
H -2.238459 -0.418380 -3.586781


