%chk=000289061.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289061

0 1
O -1.100417 0.634279 -2.168665
O -1.798634 1.602868 2.319507
O -2.944212 -1.185999 0.292569
O -5.050313 -0.504067 -0.185018
N 0.166989 1.157946 1.115053
N -1.810261 1.185618 -0.014752
C 0.537364 0.812862 -0.288502
C 1.463746 1.869424 -0.906497
C 1.148059 -0.592354 -0.389776
C 2.830232 1.887222 -0.216194
C -0.854189 0.833057 -1.008861
C 2.593999 -0.638956 0.017078
C 3.389178 0.520028 0.069329
C -1.210614 1.332155 1.301657
C 3.162753 -1.886568 0.322870
C 4.743452 0.411234 0.427522
C -3.261173 1.137116 -0.205694
C 4.508407 -1.983366 0.677440
C 5.301032 -0.831331 0.729142
C -3.878747 -0.246153 -0.045481
C -3.400666 -2.571532 0.457371
C -3.596065 -3.208672 -0.900719
H 1.001719 2.875407 -0.852318
H 1.585215 1.645952 -1.988718
H 1.063342 -0.949394 -1.444183
H 0.550229 -1.311494 0.211393
H 2.760655 2.450952 0.740254
H 3.542547 2.463654 -0.845234
H 0.842110 1.122640 1.866409
H 2.551101 -2.786692 0.281670
H 5.365674 1.304133 0.469588
H -3.756198 1.825792 0.530784
H -3.512155 1.512021 -1.233139
H 4.941342 -2.954098 0.912800
H 6.351864 -0.904741 1.004099
H -2.554423 -2.995905 1.027251
H -4.323134 -2.565752 1.065350
H -3.765851 -4.288710 -0.818147
H -4.465897 -2.778259 -1.421355
H -2.725555 -3.053719 -1.551584


%chk=000289061-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289061

0 1
O -1.248370 0.420889 -2.010169
O -1.661459 1.778520 2.477425
O -3.057645 -1.214975 0.373716
O -5.102293 -0.360817 -0.367775
N 0.231690 1.219101 1.136536
N -1.799512 1.158269 0.171897
C 0.498858 0.771597 -0.248331
C 1.400305 1.763287 -1.033669
C 1.124990 -0.645327 -0.313653
C 2.799939 1.867322 -0.393796
C -0.929376 0.747737 -0.840075
C 2.603247 -0.658750 0.063005
C 3.401760 0.517297 -0.007561
C -1.108679 1.424887 1.408767
C 3.201527 -1.878807 0.469720
C 4.779617 0.435352 0.318202
C -3.249029 1.184066 0.065897
C 4.572436 -1.950135 0.791242
C 5.368982 -0.783097 0.712932
C -3.913198 -0.196461 -0.018799
C -3.605468 -2.609336 0.302232
C -3.421117 -3.183025 -1.104458
H 0.923162 2.759518 -1.066579
H 1.469670 1.391747 -2.072818
H 0.991858 -1.008542 -1.352361
H 0.553083 -1.330572 0.339335
H 2.743013 2.511101 0.508795
H 3.480658 2.392449 -1.090142
H 0.940343 1.279537 1.865236
H 2.581605 -2.782138 0.530541
H 5.395169 1.342151 0.259159
H -3.637408 1.697046 0.965604
H -3.565777 1.751489 -0.825345
H 5.016076 -2.902750 1.100678
H 6.435923 -0.824538 0.958025
H -3.017700 -3.153262 1.058496
H -4.670177 -2.580004 0.593141
H -3.740277 -4.241743 -1.117959
H -4.030479 -2.628865 -1.837283
H -2.363443 -3.133621 -1.415509


