%chk=000234976.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234976

0 1
O 4.905393 -0.261569 -0.001486
O -5.886986 -0.395127 0.002126
O -5.297164 1.685520 -0.000611
O 3.570577 1.601434 -0.000969
N -5.046869 0.491160 0.000654
N 1.405673 -0.227382 -0.000770
N 2.708243 -0.619323 -0.001041
C -0.944264 -0.680130 -0.000350
C -3.625599 0.086572 0.000312
C -1.958896 -1.658449 0.001078
C -1.287552 0.684327 -0.001432
C -3.298540 -1.278995 0.001420
C -2.625802 1.071771 -0.001104
C 0.462070 -1.132160 -0.000698
C 6.103502 0.604651 -0.001576
C 7.244775 -0.385586 -0.001840
C 3.695271 0.405559 -0.001138
H -1.702334 -2.717807 0.001940
H -0.498479 1.444948 -0.002506
H -4.097397 -2.029029 0.002547
H -2.904673 2.131931 -0.001937
H 0.608467 -2.222212 -0.000832
H 6.057860 1.233902 -0.907375
H 6.058134 1.233734 0.904352
H 8.214389 0.129294 -0.001901
H 7.212555 -1.041043 0.880062
H 7.212332 -1.040834 -0.883890
H 3.011716 -1.602656 -0.001237


%chk=000234976-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000234976

0 1
O 4.932957 -0.309970 -0.001326
O -5.994601 -0.531785 0.000949
O -5.429519 1.679813 -0.000340
O 3.631334 1.660391 -0.002014
N -5.123312 0.424026 0.000237
N 1.391409 -0.108361 -0.000648
N 2.695627 -0.525705 -0.000702
C -0.965670 -0.636546 0.000047
C -3.688851 0.057987 0.000143
C -1.968757 -1.647206 0.000704
C -1.358057 0.735613 -0.000563
C -3.333189 -1.308498 0.000761
C -2.715824 1.086831 -0.000520
C 0.446465 -1.028839 0.000019
C 6.176608 0.518064 -0.002057
C 7.352108 -0.452566 -0.001879
C 3.734563 0.419651 -0.001402
H -1.674151 -2.703196 0.001174
H -0.578070 1.502648 -0.001062
H -4.119073 -2.067848 0.001266
H -3.041423 2.130176 -0.000977
H 0.670172 -2.114203 0.000518
H 6.160359 1.164808 -0.897762
H 6.160822 1.165703 0.893007
H 8.300112 0.115315 -0.002427
H 7.334788 -1.095959 0.894064
H 7.334302 -1.096873 -0.897156
H 2.965274 -1.520971 -0.000259


