%chk=000211229.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211229

0 1
I 1.593491 -1.883879 1.701651
I 2.826189 2.281950 -2.526788
I 7.324057 -0.959498 -0.395145
O -4.238949 0.431474 -0.267155
O 0.355003 -0.241824 -1.280059
O -3.136072 -2.999089 -0.136897
O -3.694472 -1.696329 1.594961
N 0.549035 1.405488 0.322833
N 4.832960 -2.228760 1.376242
C -3.994073 -0.905392 -0.762895
C -0.837436 1.793923 0.311301
C -5.327018 -1.320165 -1.401069
C -3.160412 1.245464 0.025830
C -1.825561 0.840144 0.002846
C 1.050987 0.383391 -0.505780
C -1.197723 3.118054 0.625366
C 2.538778 0.088905 -0.393574
C -3.550226 2.557458 0.358310
C -6.464960 -1.420677 -0.393614
C -2.550113 3.478338 0.653084
C 1.475082 2.148318 1.216004
C -3.626345 -1.825698 0.401611
C 2.991405 -0.905746 0.468988
C 3.443056 0.767757 -1.212790
C 4.370646 -1.260450 0.515331
C 4.803557 0.442556 -1.190770
C 5.261973 -0.552410 -0.340881
H -3.163273 -0.888727 -1.512033
H -5.182552 -2.288169 -1.925783
H -5.583667 -0.571129 -2.181348
H -1.537300 -0.179698 -0.255161
H -0.443621 3.872089 0.827886
H -4.603374 2.821607 0.376443
H -7.429018 -1.562771 -0.894636
H -6.537113 -0.502864 0.210006
H -6.329712 -2.254830 0.304909
H -2.822422 4.504778 0.904599
H 0.924836 2.628109 2.044221
H 2.021186 2.927853 0.654423
H 2.206486 1.465992 1.684566
H 5.503543 0.976528 -1.847985
H 4.190114 -2.780761 1.932707
H 5.803724 -2.518078 1.356756
H -2.865893 -3.659732 0.551890


%chk=000211229-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211229

0 1
I 1.728204 -1.664319 2.111939
I 2.713156 2.049772 -2.744177
I 7.337758 -1.242858 -0.519328
O -4.297778 0.469351 -0.268361
O 0.323110 -0.428057 -1.085027
O -3.131084 -3.020917 -0.327366
O -3.572128 -1.654850 1.504325
N 0.551264 1.455832 0.330973
N 4.911012 -2.184210 1.522750
C -4.022635 -0.853897 -0.824750
C -0.845148 1.828321 0.370294
C -5.331315 -1.335994 -1.494557
C -3.219366 1.300202 0.094200
C -1.867026 0.910387 0.000926
C 1.033756 0.357814 -0.387445
C -1.205389 3.125535 0.825397
C 2.532250 0.080119 -0.323079
C -3.586780 2.586778 0.551271
C -6.512407 -1.483684 -0.513952
C -2.568253 3.486336 0.911435
C 1.496287 2.327642 1.068941
C -3.564410 -1.828833 0.271753
C 3.052021 -0.851039 0.605783
C 3.411223 0.619928 -1.295189
C 4.421893 -1.274452 0.608008
C 4.768062 0.237694 -1.333949
C 5.256173 -0.692223 -0.400831
H -3.221751 -0.797502 -1.589154
H -5.116813 -2.296850 -1.997093
H -5.579649 -0.596844 -2.278488
H -1.575984 -0.075246 -0.357847
H -0.448262 3.861500 1.102929
H -4.645476 2.853032 0.611522
H -7.429493 -1.768542 -1.059580
H -6.700844 -0.534041 0.014186
H -6.317133 -2.261828 0.246673
H -2.833416 4.489478 1.262122
H 1.108446 2.525583 2.081939
H 1.647857 3.286161 0.539925
H 2.469254 1.827517 1.160444
H 5.437069 0.659171 -2.086625
H 4.294049 -2.594989 2.220977
H 5.888167 -2.468572 1.490776
H -2.823669 -3.654908 0.375711


