%chk=000027740.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027740

0 1
 S  -2.2500001E-02  -1.389600      0.2405000    
 N    2.641600      -1.261700     -0.1863000    
 N    1.568000      0.7618000      0.6141000    
 N   -3.649600      0.4108000      0.1437000    
 C    1.445100     -0.4158000     -0.2518000    
 C    3.993200      0.7425000      0.2369000    
 C    3.830300     -0.5193000     -0.6079000    
 C    2.716500       1.580400      0.2229000    
 C   -1.264700     -9.8499998E-02  1.7400000E-02
 C   -2.654100     -0.6410000      0.3278000    
 C   -4.986800     -8.4100001E-02  0.4726000    
 C   -3.616900      0.9144000      -1.229900    
 H    1.275700     -0.1040000      -1.290000    
 H    4.240300      0.4647000       1.269900    
 H    4.830900       1.337600     -0.1439000    
 H    3.755800     -0.2588000      -1.670700    
 H    4.714000      -1.155500     -0.4908000    
 H    2.815200       2.421900      0.9170000    
 H    2.548100       2.007000     -0.7732000    
 H    2.514300      -2.069500     -0.7948000    
 H    1.694600      0.4417000       1.574000    
 H   -1.049600      0.7501000      0.6748000    
 H   -1.173700      0.2251000      -1.022400    
 H   -2.879600      -1.507400     -0.3092000    
 H   -2.681500     -0.9838000       1.370500    
 H   -5.022700     -0.4378000       1.509100    
 H   -5.297100     -0.9056000     -0.1834000    
 H   -5.726500      0.7203000      0.3924000    
 H   -4.472300       1.576700      -1.412700    
 H   -3.658100      0.1108000      -1.974300    
 H   -2.738400       1.539600      -1.416500    


%chk=000027740-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000027740

0 1
S 0.042880 -1.409281 -0.348605
N 2.737674 -1.098124 -0.579927
N 1.614785 0.564556 0.812862
N -3.695284 0.434795 -0.196662
C 1.541829 -0.247113 -0.406418
C 4.130463 0.572131 0.618686
C 3.986784 -0.292517 -0.654819
C 2.842659 1.413480 0.824688
C -1.294541 -0.088136 -0.630113
C -2.589921 -0.514789 0.082216
C -4.717670 0.451762 0.869251
C -4.299499 0.248525 -1.531519
H 1.379775 0.454355 -1.259988
H 4.282405 -0.091226 1.491441
H 5.017730 1.228674 0.527154
H 3.995587 0.386037 -1.545836
H 4.843875 -0.982604 -0.751522
H 2.873377 1.975798 1.774494
H 2.747075 2.155321 0.006243
H 2.636739 -1.763873 -1.358411
H 1.577546 -0.056124 1.636770
H -0.909179 0.847946 -0.194379
H -1.438216 0.032817 -1.716345
H -2.860737 -1.563777 -0.205319
H -2.398276 -0.521060 1.170405
H -4.243186 0.686258 1.838366
H -5.268667 -0.517653 0.976890
H -5.461495 1.240577 0.654613
H -5.033436 1.052152 -1.721695
H -4.825373 -0.734996 -1.640523
H -3.526203 0.309087 -2.316200


