%chk=000217091.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217091

1 1
O -3.532225 1.014731 0.002219
N 0.414618 1.376799 0.001224
N -2.435504 -0.999760 -0.000050
C 1.524169 0.522004 0.000085
C 1.291330 -0.889721 -0.001127
C -1.115037 -0.507490 -0.000017
C -0.031695 -1.387177 -0.001160
C -0.848073 0.900281 0.001185
C 2.870193 1.021089 0.000103
C 2.425309 -1.771207 -0.002288
C 0.609033 2.846019 0.002504
C 3.921603 0.143828 -0.001031
C 3.698275 -1.270352 -0.002241
C -3.629627 -0.192390 0.001124
C -4.888762 -0.981371 0.000799
H -0.186652 -2.472184 -0.002099
H -1.709344 1.618592 0.002119
H 3.056673 2.096695 0.001011
H 2.245353 -2.850676 -0.003212
H 1.167280 3.178397 -0.897912
H -0.353909 3.398348 0.003492
H 1.168153 3.176723 0.902993
H 4.954945 0.509561 -0.001035
H 4.567598 -1.937712 -0.003124
H -2.535674 -2.022054 -0.001003
H -5.005412 -1.622357 -0.889118
H -5.767108 -0.302064 0.002360
H -5.004311 -1.625050 0.888900


%chk=000217091-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217091

1 1
O -3.628781 1.064387 0.002265
N 0.426741 1.389416 0.001235
N -2.454008 -0.959850 0.000073
C 1.542270 0.535872 0.000085
C 1.293855 -0.890090 -0.001135
C -1.133787 -0.477186 0.000058
C -0.043380 -1.370245 -0.001122
C -0.851773 0.922046 0.001233
C 2.876180 1.034412 0.000097
C 2.417750 -1.782303 -0.002320
C 0.633634 2.869715 0.002525
C 3.944966 0.131618 -0.001079
C 3.718157 -1.281120 -0.002292
C -3.651631 -0.196321 0.001152
C -4.919912 -1.027928 0.000739
H -0.214901 -2.453106 -0.002047
H -1.676375 1.638860 0.002161
H 3.080204 2.107075 0.001007
H 2.236420 -2.862195 -0.003243
H 1.190530 3.170897 -0.899276
H -0.344496 3.369235 0.003296
H 1.191107 3.169247 0.904520
H 4.970763 0.512631 -0.001074
H 4.572400 -1.964213 -0.003196
H -2.566557 -1.977414 -0.000804
H -4.976420 -1.673315 -0.895132
H -5.786423 -0.352603 0.002259
H -4.975333 -1.676019 0.894717


