%chk=000025349.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025349

0 1
 S    2.254900       1.020600      -1.831100    
 O  -0.6767000      -1.412400      -1.943200    
 N  -0.6235000      0.5805000     -0.7595000    
 N   -4.693700     -0.8992000     -4.9000001E-03
 C   -2.075000      0.5398000     -0.5665000    
 C   -2.471900     -0.1107000      0.7573000    
 C    1.485800     -0.5730000      -1.507900    
 C   9.9100001E-02   1.695300     -0.2085000    
 C  -2.6000001E-02 -0.4830000      -1.447000    
 C   -3.980500     -0.1446000       1.018400    
 C    1.417400       1.976600     -0.5955000    
 C    2.131000      -1.335200     -0.3644000    
 C  -0.5082000       2.558700      0.7249000    
 C    2.098100       3.082600     -5.9999999E-02
 C   0.1770000       3.651400       1.262200    
 C    3.327600      -2.019300     -0.5724000    
 C    1.525900      -1.349200      0.8912000    
 C    1.481800       3.913200      0.8705000    
 C   -6.129400     -0.9257000      0.2806000    
 C   -4.169900      -2.263100     -9.9100001E-02
 C    3.920700      -2.719600      0.4780000    
 C    2.119200      -2.049400       1.941800    
 C    3.316600      -2.734500       1.735100    
 H   -2.514000     -2.8700000E-02  -1.394700    
 H   -2.496900       1.546800     -0.6691000    
 H   -2.014500      0.4234000       1.597500    
 H   -2.033800      -1.113700      0.8265000    
 H    1.685400      -1.157000      -2.417800    
 H   -4.350000      0.8884000       1.040500    
 H   -4.156300     -0.5690000       2.015800    
 H   -1.529700       2.431000       1.065900    
 H    3.117000       3.311800     -0.3659000    
 H  -0.3154000       4.299400       1.981500    
 H    3.808900      -2.016600      -1.546800    
 H   0.5968000     -0.8329000       1.099400    
 H    2.015900       4.764600       1.280900    
 H   -6.353800      -1.427200       1.229000    
 H   -6.531400      9.2799999E-02  0.3250000    
 H   -6.672200      -1.440900     -0.5198000    
 H   -3.170500      -2.292900     -0.5428000    
 H   -4.148100      -2.770300      0.8725000    
 H   -4.794300      -2.863400     -0.7722000    
 H    4.852800      -3.253100      0.3172000    
 H    1.649100      -2.061400       2.920900    
 H    3.778300      -3.279600       2.553000    


%chk=000025349-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025349

0 1
S 1.918840 0.842577 -2.132491
O -1.011302 -1.617533 -1.486847
N -0.697451 0.468054 -0.499785
N -4.820553 -0.845797 -0.135611
C -2.171646 0.507733 -0.258157
C -2.607090 -0.322632 0.968607
C 1.277712 -0.821114 -1.411520
C 0.121431 1.568875 -0.084031
C -0.222187 -0.684727 -1.139697
C -4.144812 -0.386340 1.100921
C 1.346329 1.874924 -0.744830
C 2.129597 -1.330818 -0.261934
C -0.297683 2.410118 0.982591
C 2.108705 2.998068 -0.357082
C 0.459093 3.539804 1.354310
C 3.350580 -1.989856 -0.565487
C 1.757266 -1.174789 1.097406
C 1.663795 3.844074 0.681007
C -6.285783 -0.690601 -0.041596
C -4.430640 -2.213716 -0.546462
C 4.184597 -2.474403 0.462562
C 2.592648 -1.660974 2.128438
C 3.808347 -2.309228 1.817132
H -2.673127 0.095897 -1.148665
H -2.477654 1.562799 -0.160206
H -2.195638 0.106415 1.903768
H -2.190792 -1.341129 0.871389
H 1.361802 -1.504726 -2.271477
H -4.535972 0.624606 1.334400
H -4.396351 -1.040747 1.978299
H -1.216162 2.178721 1.529477
H 3.053877 3.201921 -0.871220
H 0.110881 4.174086 2.176455
H 3.647488 -2.116213 -1.613872
H 0.813576 -0.684912 1.356969
H 2.258258 4.717121 0.968704
H -6.750635 -1.330544 0.752421
H -6.538374 0.362652 0.178977
H -6.749789 -0.959052 -1.007436
H -3.354217 -2.255069 -0.782935
H -4.658441 -2.983670 0.234682
H -4.982531 -2.484977 -1.463985
H 5.121976 -2.982790 0.210789
H 2.291739 -1.534415 3.174435
H 4.453892 -2.686374 2.618086


