%chk=000191016.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191016

0 1
O -1.052271 2.714688 0.159529
O 0.324750 -1.072255 2.328047
O -0.462047 0.482650 3.733976
N -0.642607 0.475574 0.247922
C 1.736928 1.233400 -1.514987
C 2.417529 1.420863 -0.165952
C 1.796724 -0.276333 -1.706033
C 0.327695 1.823208 -1.596839
C 2.874727 0.165001 0.337140
C 2.489426 -0.886296 -0.615496
C 2.625696 2.586506 0.549762
C 1.313039 -1.042807 -2.751534
C -0.497391 1.743002 -0.325625
C 3.548211 0.091062 1.547529
C 2.688992 -2.258635 -0.584918
C -1.444917 0.296442 1.466993
C 3.303716 2.504349 1.781071
C 1.516035 -2.435724 -2.713333
C 3.759734 1.279981 2.268973
C 2.192049 -3.032237 -1.649671
C -2.469789 -0.845599 1.321107
C -3.485279 -0.543056 0.253002
C -0.513041 -0.027318 2.644213
C -4.463623 0.439977 0.469181
C -3.462328 -1.246314 -0.960205
C -5.409491 0.713541 -0.521562
C -4.414137 -0.970200 -1.946257
C -5.388422 0.008590 -1.729892
H 2.367628 1.716295 -2.307725
H -0.240723 1.350222 -2.426200
H 0.395824 2.902792 -1.867900
H 2.265660 3.546546 0.184323
H 0.790707 -0.590083 -3.590801
H 3.909059 -0.859038 1.931701
H 3.217508 -2.730316 0.239829
H -1.972912 1.272269 1.707792
H -0.139876 -0.342175 -0.096409
H 3.467114 3.413714 2.358978
H 1.140544 -3.050381 -3.530345
H 4.284383 1.239390 3.222674
H 2.341796 -4.111162 -1.639227
H -1.943537 -1.801846 1.110448
H -2.985094 -1.006726 2.293326
H -4.484170 0.995961 1.405002
H -2.704562 -2.006209 -1.137994
H -6.164271 1.480398 -0.352209
H -4.395256 -1.520082 -2.885591
H -6.127574 0.223051 -2.498665
H 0.982443 -1.267978 3.047351


%chk=000191016-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191016

0 1
O -1.132892 2.984218 0.462906
O 0.544995 0.371372 2.723410
O -1.397334 0.091786 3.965888
N -0.722023 0.699626 0.387953
C 1.683971 1.325424 -1.361297
C 2.602278 1.378892 -0.137992
C 1.523847 -0.183185 -1.581369
C 0.383689 2.178464 -1.278784
C 2.995306 0.061812 0.245941
C 2.327742 -0.905829 -0.645467
C 3.070431 2.498185 0.570505
C 0.764465 -0.866230 -2.549087
C -0.535152 1.994038 -0.061680
C 3.872268 -0.139160 1.333602
C 2.373532 -2.317746 -0.682929
C -1.584953 0.402290 1.524273
C 3.944264 2.297012 1.668276
C 0.806250 -2.283613 -2.581302
C 4.345236 0.989494 2.042636
C 1.606978 -3.000764 -1.656454
C -2.430787 -0.892489 1.295190
C -3.387253 -0.763316 0.120542
C -0.838117 0.278624 2.862646
C -4.570428 0.010283 0.242076
C -3.116134 -1.399398 -1.116855
C -5.461429 0.145021 -0.844803
C -4.006559 -1.268785 -2.207653
C -5.182502 -0.495640 -2.075218
H 2.241344 1.729959 -2.234826
H -0.220570 1.999417 -2.190993
H 0.647544 3.249883 -1.286988
H 2.762302 3.512539 0.293284
H 0.144184 -0.318930 -3.268597
H 4.183455 -1.147726 1.628925
H 2.990162 -2.880167 0.027045
H -2.265297 1.267918 1.640885
H -0.166959 -0.056654 -0.020061
H 4.315270 3.159724 2.232817
H 0.220756 -2.829209 -3.329719
H 5.029945 0.855335 2.887888
H 1.631120 -4.095494 -1.698135
H -1.741605 -1.745024 1.137960
H -2.982385 -1.085570 2.233146
H -4.796647 0.506173 1.194669
H -2.205332 -2.002148 -1.226750
H -6.371448 0.745115 -0.733119
H -3.785546 -1.771525 -3.156333
H -5.874715 -0.394470 -2.918653
H 0.979331 0.307171 3.617100


