%chk=000020313.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020313

0 1
 O   -4.658700       1.254100      -1.020200    
 N   -4.298000       1.153300      0.3051000    
 C   0.5460000      0.3612000     -0.3136000    
 C    2.790100     -0.8787000       1.464400    
 C    1.392300      -1.380300       1.829400    
 C   -2.889000       1.582700      0.4813000    
 C    1.915100      0.9314000     -0.2052000    
 C   0.2619000      -1.086200     -0.4083000    
 C    2.925700      0.3641000      0.6024000    
 C   0.6667000      -1.938800      0.6322000    
 C   -1.937700      0.7086000     -0.3228000    
 C  -0.5211000       1.179300     -0.2269000    
 C    2.229800       2.063400     -0.9896000    
 C  -0.4002000      -1.618300      -1.525200    
 C   -5.217900       2.026800       1.121000    
 C   -4.467700     -0.2804000      0.7414000    
 C    4.206900      0.9599000      0.5997000    
 C   0.3958000      -3.311700      0.5421000    
 C    3.499800       2.639100     -0.9658000    
 C  -0.6633000      -2.985700      -1.603000    
 C    4.490100       2.087400     -0.1682000    
 C  -0.2666000      -3.831100     -0.5700000    
 H    3.346200      -1.686500      0.9692000    
 H    3.303700     -0.6758000       2.414500    
 H   0.7934000     -0.5876000       2.295300    
 H    1.492700      -2.164000       2.591200    
 H   -2.843500       2.627200      0.1490000    
 H   -2.667400       1.540500       1.554500    
 H   -2.233300      0.7156000      -1.378300    
 H   -2.031000     -0.3109000      5.3500000E-02
 H  -0.3810000       2.253200     -0.1212000    
 H   -4.952200       1.905600       2.174200    
 H   -5.073000       3.058000      0.7879000    
 H   -6.244200       1.703500      0.9269000    
 H   -4.017000     -0.3969000       1.730100    
 H   -5.542100     -0.4838000      0.7800000    
 H   -4.015500     -0.9369000     -5.2999998E-03
 H    1.485300       2.509000      -1.647300    
 H  -0.7013000     -0.9811000      -2.353500    
 H    5.004200      0.5347000       1.207000    
 H   0.7023000      -3.987200       1.336700    
 H    3.713300       3.510700      -1.577300    
 H   -1.173600      -3.391600      -2.471600    
 H    5.483600       2.524700     -0.1483000    
 H  -0.4703000      -4.896200     -0.6315000    


%chk=000020313-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000020313

0 1
O -4.538078 1.978584 -0.924571
N -4.389297 1.383955 0.365231
C 0.487381 0.262721 -0.271462
C 2.877731 -0.818646 1.543707
C 1.482349 -1.385990 1.902630
C -2.881662 1.314200 0.756191
C 1.867353 0.861987 -0.226800
C 0.355701 -1.229278 -0.359987
C 2.944269 0.371180 0.578825
C 0.819403 -2.047630 0.709505
C -2.062383 0.690712 -0.384654
C -0.609729 1.087077 -0.293188
C 2.113725 1.987892 -1.069994
C -0.230480 -1.840158 -1.497920
C -5.111915 2.240880 1.393740
C -4.995011 -0.015452 0.351303
C 4.200419 1.032682 0.510537
C 0.681275 -3.453165 0.619214
C 3.364620 2.631240 -1.120366
C -0.359575 -3.244775 -1.582033
C 4.424519 2.147534 -0.320166
C 0.095845 -4.056028 -0.518057
H 3.486325 -1.645335 1.121493
H 3.384663 -0.517950 2.482340
H 0.845663 -0.566088 2.289487
H 1.604314 -2.120220 2.720855
H -2.585281 2.366995 0.903943
H -2.782942 0.764369 1.711469
H -2.533351 1.104931 -1.306934
H -2.167961 -0.407284 -0.403416
H -0.431286 2.170753 -0.212088
H -4.977467 1.847991 2.419111
H -4.702648 3.257276 1.303965
H -6.175801 2.256871 1.115509
H -4.897562 -0.514204 1.333313
H -6.051324 0.098810 0.067933
H -4.476530 -0.586524 -0.430289
H 1.304935 2.334325 -1.722448
H -0.568983 -1.206668 -2.325778
H 5.020031 0.657176 1.137195
H 1.033829 -4.079268 1.448357
H 3.514956 3.487697 -1.786868
H -0.808151 -3.700479 -2.471811
H 5.408975 2.627737 -0.346903
H -0.001567 -5.146135 -0.574223


