%chk=000127862.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127862

0 1
 O  -0.2148000      -1.446500      -1.274000    
 N   -2.852300      0.1261000     -0.6811000    
 C   -2.489100     -0.2763000      0.6923000    
 C   -2.476500       1.549700     -0.7136000    
 C  -0.9447000     -0.4173000      0.7507000    
 C  -0.2170000      0.8913000      0.3343000    
 C  -0.9377000       1.585000     -0.8504000    
 C   -2.979700      0.8879000       1.563000    
 C   -2.959200       2.102700      0.6313000    
 C  -0.5326000      -1.593600     -9.4800003E-02
 C    1.290400      0.7256000      0.2053000    
 C   -4.262900     -9.7599998E-02 -0.9863000    
 C  -0.5364000      -2.945700      0.5941000    
 C    2.024400      0.2059000       1.268900    
 C    1.930500       1.095000     -0.9754000    
 C  -0.1377000      -4.077100     -0.3362000    
 C    3.406000      5.4900002E-02   1.151300    
 C    3.312100      0.9440000      -1.093300    
 C    4.050000      0.4237000     -2.9899999E-02
 C    5.527200      0.2623000     -0.1562000    
 H   -2.960700      -1.221500      0.9849000    
 H   -2.919100       2.086200      -1.560600    
 H  -0.6614000     -0.6501000       1.785900    
 H  -0.3247000       1.588500       1.179500    
 H  -0.6056000       2.628900     -0.9219000    
 H  -0.6830000       1.104600      -1.803500    
 H   -2.360300       1.044700       2.452100    
 H   -4.005400      0.7083000       1.906400    
 H   -3.973700       2.508900      0.5407000    
 H   -2.318800       2.903400       1.015200    
 H   -4.491400      -1.168000     -0.9382000    
 H   -4.479700      0.2232000      -2.011200    
 H   -4.951800      0.4259000     -0.3157000    
 H   0.1649000      -2.903300       1.434100    
 H   -1.540300      -3.137000      0.9854000    
 H    1.543400     -7.5099997E-02   2.201400    
 H    1.405000       1.511300      -1.827200    
 H  -0.1515000      -5.032500      0.1971000    
 H   0.8707000      -3.921700     -0.7341000    
 H  -0.8257000      -4.148400      -1.185100    
 H    3.970500     -0.3474000       1.988300    
 H    3.803500       1.238000      -2.017000    
 H    5.886500     -0.5770000      0.4491000    
 H    5.814600      5.5399999E-02  -1.192700    
 H    6.034300       1.174500      0.1733000    


%chk=000127862-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127862

0 1
O -0.267120 -1.493119 -1.520376
N -2.910425 0.121274 -0.641442
C -2.458769 -0.332180 0.703501
C -2.458083 1.549002 -0.644597
C -0.899203 -0.531461 0.656389
C -0.209786 0.842962 0.337721
C -0.921135 1.554874 -0.844420
C -2.858978 0.834232 1.686783
C -2.877727 2.103143 0.769815
C -0.567674 -1.677048 -0.312897
C 1.313652 0.748290 0.221355
C -4.355400 -0.066936 -0.893515
C -0.619792 -3.087692 0.289300
C 2.105187 0.899122 1.390079
C 1.988456 0.507219 -1.003115
C -0.555136 -4.213402 -0.756148
C 3.513570 0.808064 1.344000
C 3.396690 0.422853 -1.049275
C 4.187466 0.572687 0.118870
C 5.704545 0.511203 0.055278
H -2.950080 -1.285333 0.969876
H -2.944390 2.093843 -1.472802
H -0.583109 -0.858494 1.669578
H -0.395903 1.463055 1.239430
H -0.550210 2.595597 -0.921476
H -0.704930 1.034336 -1.791797
H -2.152973 0.928817 2.531188
H -3.857920 0.636856 2.115244
H -3.888731 2.546071 0.727850
H -2.187776 2.890622 1.122145
H -4.592185 -1.145719 -0.863530
H -4.592651 0.300131 -1.907719
H -5.031936 0.454302 -0.172424
H 0.235329 -3.162974 0.995706
H -1.526875 -3.176247 0.922282
H 1.610766 1.096705 2.351084
H 1.408197 0.357678 -1.917820
H -0.547553 -5.204668 -0.268475
H 0.353112 -4.115017 -1.374275
H -1.419440 -4.164848 -1.441437
H 4.096458 0.927988 2.266093
H 3.891137 0.231414 -2.010051
H 6.136894 0.171672 1.013313
H 6.048745 -0.176429 -0.737686
H 6.135987 1.507352 -0.165403


