%chk=000145063.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145063

0 1
 O   0.4132000      -2.579600     -0.4885000    
 N   0.3137000     -0.3046000     -3.5700001E-02
 N   -4.810400       1.238700      -2.863100    
 C   -1.042500       1.741900      0.2536000    
 C   -1.638500       2.643000       1.357300    
 C  -0.1185000      0.6757000      0.8167000    
 C  -0.6002000       3.010900       2.410400    
 C   -2.198500       1.166700     -0.5763000    
 C  -3.9900001E-02   1.757200       3.077700    
 C   0.3045000      0.6811000       2.092500    
 C   -2.817000       2.234700      -1.467800    
 C    1.056600      4.3699998E-02  -1.246700    
 C   4.8500001E-02  -1.654400      0.2430000    
 C  -0.7301000      -1.947600       1.523500    
 C    2.540200      4.1600000E-02  -1.015800    
 C   -1.582400      -3.213400       1.415300    
 C   -2.633000      -3.084100      0.3129000    
 C   -3.930500       1.677400      -2.246800    
 C    3.183100       1.207900     -0.6007000    
 C    3.275700      -1.126700      -1.215900    
 C   -3.506000      -4.325800      0.2272000    
 C    4.561300       1.206100     -0.3859000    
 C    4.654000      -1.128400      -1.001000    
 C    5.296700      3.7999999E-02 -0.5859000    
 H  -0.4271000       2.388700     -0.3868000    
 H   -2.030900       3.568700      0.9219000    
 H   -2.481000       2.141600       1.851900    
 H   0.2140000       3.576700       1.939700    
 H   -1.046000       3.664600       3.168500    
 H   -1.851500      0.3518000      -1.224100    
 H   -2.959100      0.7199000      7.8199998E-02
 H   0.8559000       2.028900       3.647600    
 H  -0.7668000       1.354700       3.793000    
 H   0.9973000     -7.4199997E-02   2.455000    
 H   -2.061200       2.639000      -2.151200    
 H   -3.198400       3.072200     -0.8754000    
 H   0.7361000       1.015700      -1.637200    
 H   0.8095000     -0.6789000      -2.035300    
 H  -1.1000000E-02  -2.085500       2.337900    
 H   -1.424300      -1.145300       1.785000    
 H  -0.9421000      -4.081100       1.215300    
 H   -2.075300      -3.394300       2.378100    
 H   -3.270500      -2.213600      0.5084000    
 H   -2.163600      -2.924300     -0.6634000    
 H    2.621200       2.124300     -0.4406000    
 H    2.793800      -2.041700      -1.547800    
 H   -2.905500      -5.212100     -1.5000000E-03
 H   -4.033000      -4.501100       1.170500    
 H   -4.254400      -4.209400     -0.5629000    
 H    5.061700       2.114200     -6.2500000E-02
 H    5.227200      -2.037400      -1.158800    
 H    6.369900      3.6600001E-02 -0.4190000    


%chk=000145063-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000145063

0 1
O 0.467006 -2.730645 -0.499263
N 0.303560 -0.456965 -0.046285
N -5.075786 0.879025 -2.529758
C -0.984752 1.714776 0.254167
C -1.444607 2.689139 1.374008
C -0.011986 0.665148 0.815498
C -0.272840 3.138820 2.272908
C -2.190207 1.033904 -0.452415
C 0.356717 1.924357 2.990096
C 0.582818 0.771389 2.034911
C -3.121946 2.061484 -1.153662
C 1.125611 -0.167131 -1.263995
C 0.013565 -1.798643 0.240026
C -0.880203 -2.111184 1.447726
C 2.603552 0.029084 -0.949042
C -1.802060 -3.323476 1.176363
C -2.893685 -3.040767 0.119219
C -4.202499 1.414301 -1.917314
C 3.175949 1.324355 -0.906357
C 3.427578 -1.096996 -0.685190
C -3.817130 -4.254784 -0.115481
C 4.546598 1.498310 -0.604672
C 4.795901 -0.925132 -0.382460
C 5.359930 0.372726 -0.340904
H -0.446029 2.314806 -0.515584
H -1.932039 3.575345 0.924912
H -2.208731 2.180868 1.998219
H 0.497775 3.636143 1.651037
H -0.621233 3.883209 3.013161
H -1.825230 0.311269 -1.204038
H -2.775936 0.453335 0.285710
H 1.322052 2.206897 3.453430
H -0.294782 1.595489 3.828135
H 1.282248 -0.017316 2.342793
H -2.531660 2.692892 -1.847449
H -3.583167 2.742251 -0.413948
H 0.711816 0.736239 -1.748294
H 0.987092 -1.030330 -1.937503
H -0.214520 -2.342755 2.303766
H -1.471442 -1.226283 1.743149
H -1.178737 -4.171989 0.837399
H -2.281512 -3.624526 2.129695
H -3.503981 -2.169531 0.438002
H -2.408492 -2.759749 -0.836064
H 2.549192 2.200694 -1.117164
H 2.983248 -2.098372 -0.722608
H -3.236795 -5.126036 -0.472670
H -4.329963 -4.552120 0.819211
H -4.592395 -4.031241 -0.870812
H 4.979124 2.505104 -0.579764
H 5.424652 -1.801010 -0.185997
H 6.423260 0.504323 -0.110344


