%chk=000217665.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217665

0 1
O 4.577254 0.907516 -0.000700
O 4.423417 -1.345450 0.000214
N -0.721888 -1.945917 -0.000743
C -1.814421 0.694886 -0.000412
C -0.369344 0.504385 -0.000395
C -2.655425 -0.444055 -0.000432
C 0.127264 -0.823699 -0.000478
C -2.027530 -1.773079 -0.000764
C 0.556662 1.578068 -0.000227
C -2.400753 1.986704 -0.000339
C 1.526879 -1.068789 -0.000372
C -4.060409 -0.270719 -0.000136
C 2.403152 0.005571 -0.000203
C 1.916370 1.337120 -0.000128
C -2.879914 -3.001928 -0.000937
C -3.775603 2.134561 -0.000151
C -4.613035 0.997687 0.000007
C 3.860939 -0.274609 -0.000086
C 6.024564 0.780199 -0.000732
H 0.183262 2.603307 -0.000178
H -1.754202 2.865343 -0.000400
H 1.892412 -2.102889 -0.000404
H -4.710215 -1.146194 -0.000022
H 2.634490 2.161690 0.000007
H -2.266578 -3.920887 -0.000740
H -3.520368 -3.047393 0.890789
H -3.519841 -3.047402 -0.893052
H -4.223177 3.128567 -0.000096
H -5.694329 1.129171 0.000258
H 6.354556 1.824213 -0.001252
H 6.345694 0.246085 -0.900572
H 6.345815 0.246941 0.899575


%chk=000217665-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217665

0 1
O 4.656831 0.926311 -0.000474
O 4.398342 -1.389607 -0.000640
N -0.709492 -1.927095 -0.000598
C -1.840170 0.732645 -0.000317
C -0.390037 0.554829 -0.000409
C -2.671344 -0.445652 -0.000375
C 0.118750 -0.793163 -0.000554
C -2.035059 -1.766379 -0.000509
C 0.547759 1.631554 -0.000369
C -2.469198 2.014152 -0.000178
C 1.521520 -1.023375 -0.000650
C -4.091440 -0.300022 -0.000302
C 2.423924 0.054049 -0.000614
C 1.925599 1.393387 -0.000467
C -2.870843 -3.030000 -0.000581
C -3.865325 2.133018 -0.000104
C -4.684870 0.969300 -0.000168
C 3.884246 -0.244230 -0.000726
C 6.121889 0.714554 -0.000328
H 0.194387 2.667408 -0.000260
H -1.859314 2.922614 -0.000129
H 1.885841 -2.054607 -0.000757
H -4.723521 -1.193095 -0.000352
H 2.637711 2.222523 -0.000440
H -2.195586 -3.898177 -0.000613
H -3.523657 -3.087378 0.890975
H -3.523618 -3.087293 -0.892174
H -4.328783 3.125575 0.000004
H -5.775607 1.068723 -0.000114
H 6.552398 1.725804 -0.000128
H 6.427287 0.151448 -0.898339
H 6.427073 0.151184 0.897590


