%chk=000230445.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230445

0 1
O 2.251501 -2.313089 0.889978
O -0.724514 -2.813440 1.287998
O 3.680222 -0.135895 -0.143628
O 2.592192 0.981234 -1.774072
N -0.957208 -0.866923 -0.004915
C -0.010530 0.158819 -0.590588
C 1.361602 -0.438859 -0.286117
C -0.159622 1.538136 0.019905
C 1.227913 -1.568441 0.455329
C -0.257209 -1.878570 0.675709
C -2.381912 -0.765419 -0.148020
C 2.548066 0.214994 -0.830346
C -0.700426 1.741897 1.295095
C 0.287500 2.636844 -0.732219
C -3.223670 -1.700995 0.482815
C -2.934033 0.265411 -0.933946
C -0.812851 3.039206 1.806366
C 0.175995 3.928779 -0.215676
C -0.378928 4.133040 1.052765
C -4.605958 -1.600330 0.319443
C -4.319476 0.346850 -1.082333
C -5.160400 -0.581395 -0.460771
C 1.924035 -3.535207 1.626088
C 4.941447 0.461082 -0.617141
C 5.978928 -0.110813 0.323896
H -0.168737 0.198895 -1.703894
H -1.040272 0.898024 1.894591
H 0.750569 2.478051 -1.711183
H -2.807697 -2.506084 1.096331
H -2.304057 1.007539 -1.420600
H -1.239335 3.193856 2.796246
H 0.525892 4.777778 -0.801197
H -0.468368 5.141507 1.452462
H -5.255879 -2.326833 0.807924
H -4.746182 1.145373 -1.689681
H -6.238596 -0.510328 -0.582950
H 2.925708 -3.920744 1.850714
H 1.353332 -4.218186 0.988828
H 1.364824 -3.289648 2.535143
H 5.080629 0.158894 -1.669179
H 4.837395 1.557704 -0.550634
H 6.983143 0.252630 0.077242
H 5.764355 0.159876 1.367380
H 5.992909 -1.209020 0.283141


%chk=000230445-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000230445

0 1
O 2.213908 -2.277482 1.129650
O -0.773130 -2.803868 1.380478
O 3.750655 -0.227343 -0.147288
O 2.538296 1.120044 -1.622709
N -0.945730 -0.826633 0.034895
C 0.000168 0.185325 -0.514086
C 1.368381 -0.390874 -0.160678
C -0.207876 1.588868 0.084967
C 1.206264 -1.522951 0.607575
C -0.267963 -1.825377 0.752936
C -2.356471 -0.751490 -0.192692
C 2.567540 0.242015 -0.712419
C -0.580146 1.751934 1.441044
C 0.009818 2.732777 -0.719358
C -3.254108 -1.673532 0.416148
C -2.875495 0.250669 -1.058464
C -0.734364 3.044889 1.986138
C -0.143624 4.026586 -0.173336
C -0.516943 4.187049 1.180653
C -4.636707 -1.583739 0.152389
C -4.259919 0.326566 -1.309142
C -5.153029 -0.588927 -0.708001
C 1.931117 -3.541935 1.862694
C 5.007155 0.365686 -0.699159
C 6.160085 -0.273147 0.067593
H -0.101175 0.242133 -1.615028
H -0.762358 0.871595 2.068233
H 0.328368 2.607741 -1.759807
H -2.864197 -2.448580 1.077219
H -2.213682 0.980989 -1.529734
H -1.028510 3.161708 3.035148
H 0.030704 4.906050 -0.803034
H -0.639217 5.190400 1.603787
H -5.313400 -2.302405 0.628074
H -4.638986 1.107495 -1.977453
H -6.228322 -0.526850 -0.905927
H 2.932829 -3.906499 2.132945
H 1.406787 -4.261801 1.214653
H 1.320844 -3.347743 2.757866
H 5.046698 0.152968 -1.783223
H 4.962411 1.462068 -0.566761
H 7.122708 0.127879 -0.299121
H 6.080346 -0.058053 1.146720
H 6.162567 -1.368005 -0.068087


