%chk=000211315.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211315

0 1
O -5.335315 -0.966830 -0.032592
O 0.595952 1.394335 -1.077331
O 0.878640 -0.362764 1.572979
O 2.592522 2.093998 -1.549309
N -2.719024 0.058955 -0.521455
C -1.695098 1.116325 -0.777822
C -0.329239 0.535427 -0.360946
C -3.741440 0.008057 -1.617320
C -3.392446 0.261376 0.803578
C -4.713944 -1.145720 -1.321692
C -4.369263 -0.902971 1.035162
C -0.033700 0.669629 1.131372
C 2.062395 -0.561078 0.913968
C 2.563961 0.121945 -0.201983
C 1.970425 1.246817 -0.949268
C 2.786418 -1.616781 1.529399
C 3.843766 -0.273759 -0.681146
C 4.019814 -1.980440 1.022307
C 4.555836 -1.304000 -0.093099
H -1.634550 1.373696 -1.862814
H -1.889677 2.080357 -0.264008
H -0.197015 -0.512484 -0.716654
H -3.216443 -0.181199 -2.578616
H -4.307069 0.958351 -1.726907
H -3.937634 1.227490 0.871343
H -2.608525 0.261970 1.596825
H -5.580945 -1.145961 -2.005375
H -4.205203 -2.125812 -1.343594
H -3.843011 -1.871617 1.105065
H -5.005539 -0.744634 1.923427
H 0.391265 1.654842 1.394968
H -0.924140 0.448068 1.763104
H 2.347470 -2.115501 2.392690
H 4.262143 0.266933 -1.538811
H 4.585737 -2.791359 1.484580
H 5.530075 -1.593262 -0.482123


%chk=000211315-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211315

0 1
O -5.394109 -0.992526 -0.387797
O 0.601468 1.678152 -0.601964
O 0.879656 -0.924964 1.353368
O 2.696726 2.435213 -0.971925
N -2.817508 0.310564 -0.045112
C -1.729730 1.275047 -0.316862
C -0.339973 0.623691 -0.162880
C -3.072323 -0.616013 -1.182190
C -4.084036 0.976401 0.366629
C -4.140209 -1.649882 -0.788612
C -5.134673 -0.082425 0.739367
C -0.047939 0.211704 1.278974
C 2.091646 -0.891926 0.652354
C 2.599994 0.148713 -0.192210
C 1.995526 1.474850 -0.582860
C 2.861416 -2.065037 0.882300
C 3.905680 -0.046827 -0.750333
C 4.124782 -2.229929 0.298863
C 4.658041 -1.206800 -0.526612
H -1.788157 1.726000 -1.334995
H -1.803433 2.107314 0.408315
H -0.237267 -0.257493 -0.826791
H -2.139464 -1.146898 -1.447611
H -3.417556 -0.055519 -2.086202
H -4.491786 1.621486 -0.450423
H -3.883185 1.620494 1.243649
H -4.403991 -2.292439 -1.644505
H -3.760682 -2.277232 0.046774
H -4.781740 -0.664703 1.618111
H -6.105079 0.386541 0.970722
H 0.359736 1.071842 1.846981
H -0.968954 -0.162480 1.752819
H 2.429817 -2.825767 1.539491
H 4.302124 0.764798 -1.367956
H 4.696541 -3.144132 0.491113
H 5.645841 -1.317422 -0.984083


