%chk=000217339.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217339

0 1
I -0.284349 -0.334986 2.330849
I 4.019330 2.884710 -0.644075
O -1.851747 -3.114321 -0.275521
O -1.353719 2.129681 -0.340497
O -2.645310 2.325434 1.477701
N 0.214296 -2.174093 -0.367929
N 1.547593 2.211876 1.461686
C -1.786262 -0.830603 -1.046124
C -3.082141 -0.476921 -0.305352
C -1.198078 -2.111714 -0.499252
C 1.063749 -1.007393 -0.334642
C -3.433441 1.009553 -0.442662
C 0.833986 -3.422446 0.152422
C 0.977011 -0.034536 0.673235
C 1.997998 -0.871185 -1.375914
C 1.765708 1.143414 0.593750
C 2.826285 0.250300 -1.419941
C 2.713804 1.246127 -0.456592
C -2.503086 1.863697 0.371287
H -1.986868 -0.977913 -2.129339
H -1.079032 0.030227 -1.006248
H -2.998458 -0.748447 0.770134
H -3.916839 -1.095259 -0.695893
H -3.401214 1.319613 -1.509832
H -4.475694 1.186735 -0.097151
H 1.719384 -3.681743 -0.448224
H 0.104627 -4.254494 0.080954
H 1.125312 -3.318907 1.211139
H 2.065436 -1.636664 -2.148058
H 3.560676 0.340258 -2.227699
H 1.055056 2.036442 2.336616
H 2.256261 2.940052 1.515769
H -0.676875 2.642209 0.184903


%chk=000217339-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217339

0 1
I 0.588385 -0.659779 2.881396
I 4.516654 2.640376 -0.628545
O -1.876043 -3.015163 -0.291211
O -3.745806 3.243161 -0.885988
O -2.542632 2.125022 0.751355
N 0.259995 -2.128976 -0.030362
N 2.827826 1.587281 2.011245
C -1.610898 -0.602274 -0.682245
C -3.134682 -0.478239 -0.477320
C -1.108424 -2.005554 -0.321012
C 1.188261 -1.030905 -0.130992
C -3.711927 0.838727 -1.028086
C 0.822866 -3.459225 0.287851
C 1.541841 -0.249538 0.995831
C 1.794098 -0.762149 -1.382418
C 2.492996 0.823205 0.911620
C 2.734335 0.281252 -1.501631
C 3.073917 1.054584 -0.378695
C -3.251766 2.075609 -0.277758
H -1.355693 -0.413809 -1.746693
H -1.082259 0.165166 -0.091485
H -3.360528 -0.561453 0.601409
H -3.632637 -1.331605 -0.969944
H -3.461429 0.977790 -2.097853
H -4.818823 0.827646 -0.982722
H 1.568310 -3.759076 -0.471603
H -0.011773 -4.177902 0.290976
H 1.304738 -3.448860 1.282120
H 1.526179 -1.375325 -2.247743
H 3.200723 0.488661 -2.468549
H 2.378292 1.417363 2.909028
H 3.498998 2.347958 1.924286
H -3.439696 4.034733 -0.364761


