%chk=000218183.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218183

0 1
O -1.104441 3.102059 0.059201
O -3.037032 -2.070561 -0.855200
O 3.306168 1.053346 0.511386
N 0.676099 0.788937 0.085261
N 0.022710 -1.400453 -0.276637
N 2.397144 -1.013700 0.164623
C -0.709800 0.800390 -0.141543
C -1.104346 -0.562631 -0.363985
C 1.064700 -0.565570 -0.008210
C -1.656622 1.856440 -0.175146
C -2.476511 -0.838787 -0.620821
C -2.982935 1.552333 -0.427995
C -3.386464 0.213538 -0.648686
C 3.486078 -0.146098 0.410939
C 4.827340 -0.832114 0.550325
C 5.354433 -1.299225 -0.799848
C -2.009141 4.232122 0.041754
C -2.160604 -3.226832 -0.840808
H 1.275050 1.589505 0.271861
H -3.742458 2.328399 -0.463028
H -4.436075 -0.000891 -0.845593
H 2.529764 -2.024811 0.059822
H 5.538128 -0.101865 1.003981
H 4.774787 -1.675460 1.269232
H 4.719199 -2.068098 -1.255687
H 6.361735 -1.725834 -0.699997
H 5.428100 -0.467403 -1.515172
H -2.758605 4.131067 0.832077
H -2.468039 4.336343 -0.945690
H -1.326712 5.066455 0.249636
H -2.863504 -4.040519 -1.048626
H -1.693454 -3.333660 0.143459
H -1.401592 -3.134124 -1.624182


%chk=000218183-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218183

0 1
O -0.963196 3.095210 -0.140826
O -3.266503 -2.109115 -0.571941
O 3.341693 0.833750 0.170232
N 0.639984 0.619803 -0.091175
N -0.121677 -1.533784 -0.250131
N 2.259448 -1.218777 -0.017201
C -0.751455 0.712976 -0.217426
C -1.223736 -0.639324 -0.317267
C 0.947932 -0.731666 -0.117973
C -1.595922 1.841709 -0.251539
C -2.626297 -0.868468 -0.459392
C -2.976729 1.592359 -0.392656
C -3.469301 0.262888 -0.493243
C 3.404208 -0.436203 0.131252
C 4.715618 -1.206550 0.269300
C 5.867332 -0.521407 -0.498763
C -1.832388 4.272217 -0.172279
C -2.456122 -3.336560 -0.527623
H 1.342560 1.359861 0.000721
H -3.693678 2.417838 -0.426776
H -4.543583 0.086402 -0.601632
H 2.334267 -2.237505 -0.055970
H 4.966306 -1.236734 1.348745
H 4.593952 -2.256093 -0.060078
H 5.697722 -0.557039 -1.589285
H 6.828295 -1.018741 -0.280371
H 5.939910 0.537708 -0.200980
H -2.554274 4.259008 0.667721
H -2.382235 4.338187 -1.131570
H -1.157376 5.134574 -0.069932
H -3.186749 -4.153980 -0.629553
H -1.910029 -3.418889 0.427899
H -1.724877 -3.361360 -1.353585


