%chk=000145965.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145965

1 1
 S   -1.055500     -0.6179000      -1.899400    
 N   -3.059500     -0.2321000     -7.1000002E-02
 N    1.458800     -0.3462000      0.5671000    
 C   -5.732400      0.5276000      0.6733000    
 C   -5.168600      0.8348000     -0.7130000    
 C   -4.610400      0.4306000       1.705400    
 C   -4.089700     -0.1715000      -1.109000    
 C   -3.540100     -0.5686000       1.270200    
 C   -1.732900     -7.9899997E-02 -0.3522000    
 C  -0.8354000      0.4420000      0.5139000    
 C   0.5998000      0.6229000      0.2505000    
 C    2.783400     -0.2382000      0.3515000    
 C    3.287800      0.9452000     -0.2319000    
 C    1.026400       1.802300     -0.3219000    
 C    2.386000       1.964700     -0.5654000    
 C   0.9186000      -1.576200       1.176200    
 C    3.648300      -1.280500      0.6995000    
 C    4.669400       1.055100     -0.4544000    
 C   -1.499000      -2.370400      -1.856300    
 C    5.017800      -1.153700      0.4709000    
 C    5.527200      1.0100000E-02 -0.1041000    
 H   -6.442900       1.307800      0.9677000    
 H   -6.285900     -0.4189000      0.6427000    
 H   -5.976800      0.8247000      -1.452800    
 H   -4.742800       1.846100     -0.7122000    
 H   -4.154400       1.419800       1.837400    
 H   -5.024300      0.1329000       2.675100    
 H   -4.535200      -1.165300      -1.239000    
 H   -3.696200      0.1371000      -2.083400    
 H   -2.743700     -0.6004000       2.021200    
 H   -3.969200      -1.578600       1.245100    
 H   -1.146100      0.8089000       1.489100    
 H   0.3344000       2.597600     -0.5818000    
 H    2.736900       2.890200      -1.015800    
 H  -0.1412000      -1.545300       1.420200    
 H    1.088600      -2.401500      0.4779000    
 H    1.437500      -1.742300       2.126100    
 H    3.311700      -2.212400       1.140900    
 H    5.088300       1.953700     -0.9019000    
 H   -1.025900      -2.878600      -2.700800    
 H   -2.579900      -2.504800      -1.938600    
 H   -1.146700      -2.835700     -0.9319000    
 H    5.690100      -1.963700      0.7392000    
 H    6.594900      0.1043000     -0.2808000    


%chk=000145965-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000145965

1 1
S -1.122484 -1.189396 -1.784847
N -3.076541 -0.521013 0.074806
N 1.436853 -0.416990 0.379927
C -5.647013 0.863678 0.452922
C -5.111219 0.499108 -0.950081
C -4.480396 1.046177 1.452393
C -4.176771 -0.737485 -0.909079
C -3.574361 -0.205881 1.447651
C -1.756709 -0.367365 -0.264299
C -0.899328 0.513311 0.427138
C 0.534419 0.644757 0.408052
C 2.829443 -0.211982 0.198923
C 3.353827 1.128470 0.213659
C 1.078638 1.978658 0.483762
C 2.436969 2.219402 0.396978
C 0.983841 -1.803499 0.644608
C 3.719530 -1.306425 0.016213
C 4.756261 1.335485 0.056498
C -1.792183 -2.956736 -1.616170
C 5.095441 -1.070814 -0.139378
C 5.623176 0.250290 -0.115346
H -6.254656 1.784354 0.400225
H -6.318706 0.059150 0.815213
H -5.946082 0.277562 -1.640405
H -4.553967 1.355198 -1.377505
H -3.887952 1.942768 1.183112
H -4.863909 1.204199 2.477123
H -4.748856 -1.636255 -0.604707
H -3.739457 -0.908633 -1.905077
H -2.711107 -0.098061 2.123737
H -4.164311 -1.082275 1.784392
H -1.401793 1.344887 0.936156
H 0.367143 2.804017 0.565968
H 2.822936 3.243161 0.438767
H -0.028854 -1.771265 1.069792
H 0.962985 -2.401495 -0.281526
H 1.662800 -2.268508 1.377557
H 3.352167 -2.333521 -0.031268
H 5.141837 2.360665 0.071335
H -1.247209 -3.542821 -2.371927
H -2.869615 -2.994118 -1.826344
H -1.580698 -3.346775 -0.609464
H 5.769127 -1.920456 -0.289207
H 6.697986 0.412170 -0.236776


