%chk=000068223.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068223

0 1
 S    2.818300       1.074100      0.3396000    
 N  -6.7800000E-02 -7.9899997E-02  0.3912000    
 N   -3.515400      -1.493800      8.6400002E-02
 C   -1.368100     -0.5938000      0.8410000    
 C   -2.230700     -0.9668000     -0.3609000    
 C   3.3399999E-02   1.312400      0.1427000    
 C   0.9682000      -1.023900      0.1759000    
 C    1.288900       1.947900      7.2200000E-02
 C    2.316200     -0.6197000      0.1083000    
 C   -1.105500       2.116900     -8.0100000E-02
 C   0.7006000      -2.397100     -1.5600000E-02
 C    1.383900       3.327800     -0.1817000    
 C    3.339100      -1.558900     -0.1132000    
 C   -4.336600      -1.889000      -1.059100    
 C   -4.222300     -0.5044000      0.9011000    
 C   -1.005100       3.487000     -0.3370000    
 C    1.720700      -3.325700     -0.2402000    
 C   0.2408000       4.093600     -0.3847000    
 C    3.041700      -2.906700     -0.2859000    
 H   -1.238600      -1.456500       1.509500    
 H   -1.832000      0.1575000       1.489500    
 H   -2.381600     -0.1159000      -1.034400    
 H   -1.736900      -1.721100     -0.9805000    
 H   -2.114300       1.721300     -4.3400001E-02
 H  -0.3013000      -2.809100      3.0700000E-02
 H    2.352700       3.821700     -0.2243000    
 H    4.381500      -1.249200     -0.1534000    
 H   -3.824000      -2.651100      -1.656700    
 H   -4.573700      -1.040200      -1.711000    
 H   -5.277200      -2.338900     -0.7222000    
 H   -5.249600     -0.8376000       1.095000    
 H   -4.282500      0.4761000      0.4154000    
 H   -3.776800     -0.3943000       1.894200    
 H   -1.903800       4.076200     -0.4950000    
 H    1.478000      -4.376200     -0.3726000    
 H   0.3241000       5.158200     -0.5808000    
 H    3.838100      -3.624400     -0.4566000    


%chk=000068223-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068223

0 1
S 2.864113 0.960446 0.676293
N -0.157724 0.266406 0.564419
N -3.171191 -1.682964 -0.034183
C -1.546108 -0.030130 0.976453
C -2.537649 -0.351030 -0.191867
C 0.158409 1.593201 0.149294
C 0.711534 -0.834715 0.286629
C 1.508914 2.042368 0.079881
C 2.122777 -0.658639 0.229577
C -0.862384 2.520280 -0.204172
C 0.191208 -2.141686 0.067705
C 1.824214 3.346479 -0.347633
C 2.981302 -1.734945 -0.066611
C -3.754575 -2.182061 -1.298650
C -4.153667 -1.716377 1.071649
C -0.547501 3.841481 -0.590012
C 1.059350 -3.226767 -0.185870
C 0.796540 4.262504 -0.672431
C 2.454993 -3.032648 -0.265230
H -1.508599 -0.906521 1.646437
H -1.903061 0.828428 1.571422
H -3.309421 0.456901 -0.276570
H -1.972247 -0.352213 -1.141316
H -1.910790 2.210352 -0.188908
H -0.892223 -2.314266 0.095350
H 2.875273 3.649614 -0.405112
H 4.061294 -1.559503 -0.119409
H -2.972385 -2.227749 -2.076871
H -4.591629 -1.546294 -1.681369
H -4.146565 -3.203387 -1.145614
H -4.525890 -2.747159 1.206528
H -5.033416 -1.048041 0.890127
H -3.679423 -1.404006 2.018037
H -1.358793 4.533482 -0.841384
H 0.633044 -4.225196 -0.334267
H 1.047190 5.281480 -0.983738
H 3.127484 -3.870626 -0.475184


