%chk=000207369.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207369

0 1
I 0.575434 3.227248 -1.449548
I 1.255135 -2.560666 0.031375
I -2.868938 3.089683 -0.452545
I -2.188878 -2.711884 1.050598
O 2.339959 0.130757 -2.150610
O -3.934350 0.407180 1.780043
O 4.219379 -0.769270 1.874088
O 5.473358 -1.707513 0.270078
N 2.875140 0.684052 0.013381
N -4.509161 -0.210721 -0.355325
C 0.531907 0.323230 -0.572025
C -2.163431 0.200366 0.172494
C -0.278956 1.456850 -0.688691
C -0.009853 -0.874038 -0.085315
C -1.621460 1.395510 -0.314723
C -1.350113 -0.934533 0.288308
C 1.981461 0.348621 -1.014136
C -3.611766 0.150871 0.637138
C 4.309665 0.423403 -0.173406
C -5.953390 -0.303182 -0.061633
C 4.751826 -0.804438 0.605290
H 2.564849 0.770204 0.983079
H 4.901943 1.309780 0.164053
H 4.542275 0.272394 -1.264801
H -4.216935 -0.418780 -1.302547
H -6.522743 0.405499 -0.686052
H -6.152198 -0.054881 1.001350
H -6.321502 -1.326698 -0.243897
H 4.455243 -1.568441 2.417979


%chk=000207369-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207369

0 1
I 0.902827 3.052594 -0.708674
I 0.865614 -3.056930 -0.669463
I -2.648528 3.081449 0.297946
I -2.686195 -3.029330 0.337783
O 2.220655 -0.022607 -2.282922
O -4.013297 0.045006 1.895549
O 4.441427 0.009431 2.036916
O 6.430146 -0.015072 0.825937
N 2.865728 -0.006700 -0.050698
N -4.637749 0.032599 -0.359220
C 0.477751 0.000896 -0.565169
C -2.263247 0.022631 0.191209
C -0.201752 1.235390 -0.383596
C -0.216872 -1.222689 -0.367858
C -1.568064 1.246494 -0.004073
C -1.583119 -1.211968 0.011862
C 1.924751 -0.010674 -1.051652
C -3.717220 0.034636 0.665749
C 4.290186 -0.014534 -0.379503
C -6.085753 0.044157 -0.119754
C 5.185151 -0.007541 0.846539
H 2.598639 0.003607 0.936864
H 4.552117 0.861429 -1.005338
H 4.546033 -0.901855 -0.991376
H -4.292711 0.024187 -1.321088
H -6.550935 0.947988 -0.553840
H -6.246292 0.047036 0.969740
H -6.564902 -0.853457 -0.551403
H 5.049513 0.014429 2.823533


