%chk=000259253.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259253

0 1
O 4.223759 -1.137172 -0.001190
O -3.764144 0.720647 -0.033678
O -3.532725 -1.556168 0.001402
N -1.681448 -0.088187 -0.020324
C 0.718258 -0.512801 -0.012532
C 1.275965 0.853880 -0.033935
C 1.805560 -1.442515 0.002518
C 2.704465 0.764219 -0.032033
C 3.111613 -0.679228 -0.008943
C -0.589333 -1.002553 -0.005385
C 1.611341 -2.803534 0.023701
C 0.663430 2.095542 -0.053840
C 3.496701 1.894263 -0.049758
C -0.795622 -2.411680 0.016762
C 0.279013 -3.282820 0.030677
C 1.476054 3.249533 -0.071916
C 2.863877 3.155840 -0.070011
C -3.034947 -0.451602 -0.015410
C -5.231862 0.550895 -0.032432
C -5.744276 1.972796 -0.047456
H 2.453791 -3.495114 0.034909
H -0.421032 2.200787 -0.055836
H 4.585008 1.815132 -0.048132
H -1.821126 -2.805036 0.022775
H 0.102953 -4.359966 0.047271
H 0.997836 4.230028 -0.087624
H -1.458532 0.919877 -0.035928
H 3.473648 4.057958 -0.084181
H -5.499585 -0.030047 -0.931993
H -5.500873 -0.011386 0.878569
H -6.841490 1.997417 -0.048609
H -5.395668 2.537303 0.828930
H -5.394211 2.519193 -0.934669


%chk=000259253-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259253

0 1
O 4.282299 -1.135972 -0.007901
O -3.762389 0.738030 -0.029267
O -3.588832 -1.610844 0.008622
N -1.699178 -0.164680 -0.014781
C 0.722653 -0.536007 -0.011865
C 1.269814 0.856861 -0.032696
C 1.821973 -1.448007 0.000086
C 2.699217 0.770767 -0.033124
C 3.107406 -0.673141 -0.011946
C -0.597275 -1.054478 -0.002905
C 1.655702 -2.838524 0.020360
C 0.674295 2.136317 -0.050685
C 3.523443 1.903522 -0.050755
C -0.777426 -2.472973 0.017811
C 0.330861 -3.342989 0.029174
C 1.504655 3.289761 -0.068617
C 2.913968 3.183782 -0.068782
C -3.053311 -0.475743 -0.008204
C -5.249033 0.607704 -0.029230
C -5.812780 2.024230 -0.056340
H 2.528555 -3.498186 0.029017
H -0.409010 2.299101 -0.051707
H 4.612044 1.784908 -0.050201
H -1.794666 -2.870287 0.024527
H 0.153636 -4.423412 0.044993
H 1.038114 4.281023 -0.082646
H -1.501041 0.834932 -0.030549
H 3.528995 4.089431 -0.082765
H -5.546609 0.016927 -0.914315
H -5.549506 0.049935 0.876051
H -6.917155 1.983898 -0.057609
H -5.488147 2.596392 0.829414
H -5.484876 2.563227 -0.961468


