%chk=000212822.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212822

0 1
O 2.980784 1.069982 0.660385
N 2.260040 -1.082730 0.127568
N 3.786242 0.129501 -1.273816
C -0.121004 -0.539814 0.619995
C 1.201263 -1.022100 1.172692
C -2.384136 -0.988830 -0.123626
C -1.511101 1.280869 -0.175920
C -0.290997 0.820443 0.340667
C -1.159892 -1.447997 0.387374
C -2.556170 0.373561 -0.406110
C -3.496168 -1.954345 -0.382807
C -1.700421 2.735105 -0.462775
C 2.992790 0.114781 -0.100728
H 1.541453 -0.348178 2.000322
H 1.118158 -2.041815 1.613193
H 0.529579 1.517456 0.527451
H -1.025334 -2.503520 0.604486
H -3.503236 0.729150 -0.803344
H -3.466629 -2.817518 0.294962
H -4.484997 -1.490713 -0.267205
H -3.439084 -2.344126 -1.409843
H -2.087999 3.256779 0.425341
H -0.758550 3.229865 -0.738854
H -2.409968 2.913011 -1.280869
H 1.983076 -1.627643 -0.691995
H 4.085778 -0.733503 -1.699004
H 4.479422 0.868128 -1.322839


%chk=000212822-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212822

0 1
O 3.541487 0.474832 1.370458
N 2.276101 -0.775281 -0.157306
N 4.295073 0.237816 -0.823803
C -0.159274 -0.590089 0.387265
C 1.216867 -1.098250 0.809864
C -2.559511 -1.003964 -0.007245
C -1.618379 1.262787 -0.329523
C -0.343297 0.770250 0.036065
C -1.269961 -1.465047 0.362635
C -2.714650 0.361488 -0.348677
C -3.740025 -1.959828 -0.063027
C -1.819383 2.732516 -0.660327
C 3.376170 0.003916 0.202298
H 1.537022 -0.626255 1.758101
H 1.175365 -2.192340 0.980614
H 0.517869 1.449912 0.060674
H -1.132499 -2.520583 0.634196
H -3.707936 0.732924 -0.634333
H -3.634081 -2.776324 0.673131
H -4.692440 -1.438936 0.139707
H -3.828565 -2.428287 -1.062895
H -2.095164 3.308209 0.244742
H -0.898252 3.185628 -1.067038
H -2.628358 2.876222 -1.398649
H 2.144567 -1.070540 -1.125209
H 4.218088 -0.158515 -1.757719
H 5.106065 0.803538 -0.589295


