%chk=000042771.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042771

0 1
 S    1.326500      0.6979000     -0.5646000    
 S   -3.049900       3.367300     -0.6389000    
 S    5.559600     -0.1431000      0.2745000    
 N   -1.200700     -0.3135000     -0.5469000    
 N   0.3602000      -1.733400      0.1514000    
 C   -1.818700      0.8949000      -1.049000    
 C   -1.870200      -1.468800     -0.2345000    
 C   0.1278000     -0.5210000     -0.2996000    
 C  -0.8741000      -2.339600      0.1988000    
 C   -2.261400       1.874700      3.7599999E-02
 C   -3.220300      -1.816400     -0.2918000    
 C   -1.227800      -3.638200      0.6025000    
 C    2.836700     -0.1762000     -6.3000001E-02
 C   -3.554400      -3.112600      0.1139000    
 C   -2.577400      -4.008800      0.5533000    
 C    4.046100      0.7344000     -0.2197000    
 C   -3.398500       4.207200      0.9226000    
 C   -4.083700       5.536900      0.6710000    
 C    6.736600       1.204000      1.9200001E-02
 C    8.143800      0.7544000      0.3632000    
 H   -1.123200       1.372300      -1.748400    
 H   -2.679900      0.5905000      -1.656900    
 H   -2.971600       1.381400      0.7105000    
 H   -1.396900       2.179300      0.6373000    
 H   -3.983400      -1.124100     -0.6287000    
 H  -0.4762000      -4.341900      0.9457000    
 H    2.728500     -0.4923000      0.9809000    
 H    2.947200      -1.070100     -0.6873000    
 H   -4.594700      -3.427400      8.7099999E-02
 H   -2.867900      -5.009600      0.8623000    
 H    4.157000       1.052700      -1.262000    
 H    3.940300       1.624300      0.4106000    
 H   -2.460600       4.374900       1.461300    
 H   -4.043900       3.573500       1.538900    
 H   -3.454700       6.207600      7.5800002E-02
 H   -5.040100       5.405300      0.1534000    
 H   -4.289700       6.036100       1.623800    
 H    6.458800       2.053100      0.6517000    
 H    6.699700       1.524100      -1.026900    
 H    8.223800      0.4489000       1.412100    
 H    8.465400     -8.0700003E-02 -0.2685000    
 H    8.847500       1.578400      0.2047000    


%chk=000042771-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042771

0 1
S 1.314830 0.792845 -0.642272
S -3.231545 3.344888 -0.651127
S 5.645401 -0.211406 0.174595
N -1.258927 -0.305873 -0.600771
N 0.381995 -1.735851 0.142044
C -1.895849 0.925418 -1.087348
C -1.914654 -1.502267 -0.239229
C 0.106295 -0.514824 -0.336881
C -0.875338 -2.384346 0.213109
C -2.348651 1.835453 0.073170
C -3.270276 -1.883322 -0.274081
C -1.197248 -3.690161 0.642593
C 2.886621 -0.192037 -0.197241
C -3.572629 -3.193991 0.159813
C -2.553455 -4.081684 0.610417
C 4.075539 0.767973 -0.250928
C -3.462037 4.324180 0.959978
C -4.184197 5.643930 0.653984
C 6.888771 1.221792 0.091804
C 8.295489 0.687772 0.397874
H -1.180811 1.465482 -1.734158
H -2.761125 0.645526 -1.715653
H -3.044940 1.300161 0.741324
H -1.476440 2.182868 0.653533
H -4.061063 -1.207708 -0.617546
H -0.410872 -4.368698 0.986733
H 2.723233 -0.615403 0.805042
H 2.969919 -1.013867 -0.924606
H -4.614058 -3.533979 0.149621
H -2.831341 -5.089201 0.938639
H 4.202519 1.200107 -1.259191
H 3.965665 1.581425 0.487540
H -2.461116 4.502625 1.390607
H -4.047297 3.697503 1.655429
H -3.602586 6.263171 -0.051730
H -5.180140 5.461417 0.213013
H -4.323081 6.224525 1.584587
H 6.578910 1.982852 0.829585
H 6.837329 1.658536 -0.921174
H 8.341943 0.239831 1.406329
H 8.598847 -0.080633 -0.335080
H 9.031966 1.511371 0.355055


