%chk=000078620.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078620

0 1
 O   0.6341000      -2.833600     -0.3499000    
 N  -6.3699998E-02   1.252400      0.3827000    
 C   -1.332600      0.6828000      9.0800002E-02
 C   -1.647300     -0.6396000      0.4507000    
 C  -0.6288000      -1.480500       1.151700    
 C    1.228900      0.7094000      0.1384000    
 C    1.511400     -0.6706000      1.1000000E-03
 C   0.5161000      -1.752100      0.2207000    
 C   -2.328100       1.435400     -0.5686000    
 C   -2.911300      -1.177900      0.1569000    
 C  -0.1373000       2.633600      0.8870000    
 C    2.331200       1.582700     -5.2099999E-02
 C    2.810000      -1.123900     -0.3127000    
 C   -3.583100      0.8952000     -0.8572000    
 C   -3.875000     -0.4127000     -0.4932000    
 C    3.618200       1.127700     -0.3564000    
 C    3.857200     -0.2284000     -0.4899000    
 H  -0.2722000     -0.9948000       2.067800    
 H   -1.048900      -2.442200       1.470500    
 H   -2.130400       2.457800     -0.8840000    
 H   -3.151000      -2.201400      0.4352000    
 H  -3.1500001E-02   3.356700      7.0200004E-02
 H   0.6360000       2.825200       1.640800    
 H   -1.086600       2.833200       1.400700    
 H    2.208800       2.662500      2.9000000E-03
 H    3.027000      -2.186000     -0.4051000    
 H   -4.328000       1.497400      -1.369100    
 H   -4.849000     -0.8373000     -0.7164000    
 H    4.425400       1.840600     -0.4973000    
 H    4.852900     -0.5899000     -0.7268000    


%chk=000078620-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000078620

0 1
O 0.761811 -3.026459 0.109434
N -0.065077 1.247894 0.577913
C -1.317339 0.669720 0.156822
C -1.643780 -0.669863 0.498154
C -0.655253 -1.466204 1.320909
C 1.197522 0.700657 0.217841
C 1.446317 -0.707062 0.015681
C 0.539617 -1.820531 0.432178
C -2.248810 1.456272 -0.571546
C -2.870687 -1.218827 0.056497
C -0.120531 2.663784 1.004463
C 2.288606 1.602510 0.005382
C 2.715770 -1.120838 -0.484020
C -3.479875 0.904830 -0.982053
C -3.792082 -0.440647 -0.676552
C 3.539543 1.155574 -0.452056
C 3.758390 -0.216312 -0.727664
H -0.306356 -0.853445 2.175661
H -1.096174 -2.403382 1.694711
H -2.001483 2.487893 -0.842628
H -3.106587 -2.258232 0.311158
H 0.025456 3.382787 0.171546
H 0.653377 2.854583 1.767565
H -1.105089 2.853778 1.458758
H 2.148471 2.674982 0.156097
H 2.849421 -2.197442 -0.634889
H -4.184649 1.518743 -1.553618
H -4.744302 -0.874150 -0.999830
H 4.340712 1.886080 -0.613433
H 4.725457 -0.564991 -1.103079


