%chk=000130857.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130857

0 1
 O   -1.855100      -4.103000     -0.6793000    
 N   -1.178300       1.176500      0.6314000    
 C    1.203300     -0.7124000       1.118000    
 C  -0.1363000      -1.109200      0.5506000    
 C    2.224900     -0.2886000      5.6699999E-02
 C   -1.151100     -0.1731000      0.3697000    
 C    3.601100      3.6600001E-02  0.6459000    
 C   -2.397700     -0.5176000     -0.1532000    
 C    4.578600      0.4836000     -0.4431000    
 C  -0.3798000      -2.431500      0.1958000    
 C   -3.186000      0.6759000     -0.1998000    
 C   -2.398100       1.715000      0.2959000    
 C    5.943400      0.8409000      0.1478000    
 C   -2.631400      -1.862600     -0.5090000    
 C   -1.614100      -2.806600     -0.3290000    
 C    6.909900       1.319900     -0.9352000    
 C   0.6862000      -3.468000      0.3751000    
 C   -4.500900      0.9677000     -0.6194000    
 C   -2.857900       3.033400      0.3939000    
 C   -4.974900       2.281300     -0.5277000    
 C   -4.163700       3.297300     -2.8200001E-02
 C    8.278000       1.644400     -0.3568000    
 H    1.058300      0.1280000       1.810200    
 H    1.610100      -1.502700       1.759900    
 H    1.843100      0.5906000     -0.4784000    
 H    2.335200      -1.078700     -0.6961000    
 H    3.998200     -0.8473000       1.159300    
 H    3.497400      0.8292000       1.396700    
 H    4.695500     -0.3163000      -1.184400    
 H    4.168200       1.354400     -0.9689000    
 H  -0.4075000       1.706300       1.013900    
 H    5.824000       1.625700      0.9046000    
 H    6.363200     -3.6100000E-02  0.6554000    
 H   -3.591600      -2.163800     -0.9193000    
 H    6.505400       2.212000      -1.427300    
 H    7.020300      0.5467000      -1.704500    
 H   0.5652000      -3.967300       1.341800    
 H   0.6540000      -4.222000     -0.4194000    
 H    1.701800      -3.070800      0.3127000    
 H   -5.145700      0.1862000      -1.011200    
 H   -2.226400       3.825300      0.7829000    
 H   -5.987300       2.509400     -0.8502000    
 H    8.724500      0.7625000      0.1134000    
 H    8.207900       2.436700      0.3953000    
 H    8.952700       1.985800      -1.148000    
 H   -4.550700       4.311100      3.4800000E-02
 H   -1.287700      -4.700300     -0.1662000    


%chk=000130857-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130857

0 1
O -2.046053 -4.158093 -0.700240
N -1.142927 1.170022 0.684411
C 1.205352 -0.735662 1.166276
C -0.141245 -1.174236 0.606177
C 2.243666 -0.381727 0.064317
C -1.165060 -0.215162 0.408593
C 3.583009 0.128428 0.640474
C -2.451375 -0.541866 -0.135893
C 4.633832 0.442332 -0.448252
C -0.429114 -2.516360 0.227614
C -3.225413 0.693313 -0.181458
C -2.378949 1.735979 0.337161
C 5.967846 0.973137 0.123900
C -2.728486 -1.876075 -0.500469
C -1.718828 -2.835344 -0.314819
C 7.024437 1.271420 -0.964261
C 0.584584 -3.642877 0.365432
C -4.536466 1.012125 -0.605864
C -2.818108 3.073521 0.436064
C -4.983071 2.347489 -0.510146
C -4.131054 3.364976 0.005668
C 8.351148 1.807396 -0.384046
H 1.071369 0.148924 1.822375
H 1.634390 -1.516663 1.822523
H 1.811713 0.381560 -0.613968
H 2.425301 -1.278391 -0.561936
H 3.995464 -0.628943 1.340273
H 3.400533 1.041178 1.246749
H 4.828887 -0.474633 -1.042806
H 4.216754 1.187809 -1.157262
H -0.354521 1.678614 1.075389
H 5.775867 1.897519 0.708418
H 6.381302 0.233216 0.841205
H -3.689966 -2.185257 -0.919334
H 6.609058 2.007228 -1.682978
H 7.219713 0.346899 -1.545125
H 0.218921 -4.450780 1.032943
H 0.826667 -4.099317 -0.616660
H 1.537228 -3.292378 0.789616
H -5.197933 0.234485 -1.003947
H -2.169809 3.863079 0.832226
H -5.996145 2.608140 -0.835066
H 8.803272 1.075804 0.312169
H 8.186998 2.746405 0.177962
H 9.088543 2.015567 -1.181020
H -4.501177 4.394492 0.070711
H -1.291953 -4.772793 -0.525997


