%chk=000216796.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216796

0 1
O -0.331901 -0.666594 -0.000746
O 4.543354 -1.092112 0.000699
O -5.055314 -2.082714 -0.003704
O -5.255642 0.072732 -0.001813
N -4.590569 -0.955126 -0.002494
C 1.075784 1.170225 0.001431
C -0.283644 1.657560 0.001380
C 0.988018 -0.252519 0.000120
C -1.105050 0.544538 0.000048
C 2.351508 1.768741 0.002438
C 2.090827 -1.109537 -0.000239
C -0.707162 3.069113 0.002238
C 3.329028 -0.465516 0.000805
C 3.468965 0.958570 0.002132
C -2.527027 0.366466 -0.000632
C -3.131004 -0.836882 -0.001820
C 4.566119 -2.543658 -0.000623
H 2.443732 2.854797 0.003430
H 1.966091 -2.184488 -0.001247
H -1.309143 3.314900 -0.888180
H -1.321835 3.310524 0.885081
H 0.147420 3.762258 0.010070
H 4.476158 1.372900 0.002881
H -3.122391 1.297299 -0.000151
H -2.596671 -1.793872 -0.002389
H 4.092389 -2.928582 -0.908466
H 4.091763 -2.930236 0.906189
H 5.645298 -2.748387 -0.000437


%chk=000216796-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216796

0 1
O -0.300204 -0.707804 -0.000788
O 4.641829 -1.087655 0.000673
O -5.212246 -2.041360 -0.003394
O -5.303848 0.252022 -0.000713
N -4.646738 -0.870219 -0.002029
C 1.076241 1.160568 0.001375
C -0.291353 1.627775 0.001386
C 1.030765 -0.266273 0.000068
C -1.103745 0.481861 0.000046
C 2.351161 1.794270 0.002402
C 2.157380 -1.098845 -0.000260
C -0.761119 3.058094 0.001900
C 3.409227 -0.433916 0.000799
C 3.501253 0.996529 0.002118
C -2.522447 0.341050 -0.000389
C -3.199882 -0.851606 -0.001870
C 4.641745 -2.555790 -0.000646
H 2.440438 2.885243 0.003337
H 2.055790 -2.185742 -0.001243
H -1.366376 3.288256 -0.894055
H -1.385592 3.281625 0.886174
H 0.094026 3.753364 0.013632
H 4.501762 1.437918 0.002876
H -3.118694 1.261592 0.000501
H -2.745284 -1.842086 -0.003012
H 4.146210 -2.952869 -0.907020
H 4.145609 -2.954500 0.904682
H 5.703191 -2.841102 -0.000549


