%chk=000249526.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249526

0 1
O 0.626978 -1.331976 -0.069242
O 1.798948 2.487204 0.890663
O -1.736007 1.997610 -1.460111
N -0.923464 1.973717 0.696309
C -0.311260 -0.333361 0.179221
C 0.048486 0.948542 0.449917
C 2.434199 0.288528 0.238352
C 1.975660 -1.000316 -0.062314
C 1.476873 1.364870 0.553219
C -1.648927 -0.953187 0.114522
C 3.826515 0.516260 0.223757
C 2.841887 -2.065007 -0.371557
C -2.476638 -0.731878 -0.995093
C -2.074836 -1.777570 1.168864
C 4.700586 -0.520078 -0.079499
C 4.207042 -1.806465 -0.376511
C -3.737373 -1.333441 -1.043581
C -3.337043 -2.371975 1.111221
C -1.675465 2.528045 -0.367116
C -4.167203 -2.151184 0.005866
C -2.440506 3.764948 0.009152
H 4.192941 1.521298 0.456012
H 2.435562 -3.048288 -0.600185
H -0.680648 2.570970 1.493905
H -2.140713 -0.074979 -1.807871
H -1.423687 -1.950680 2.024808
H 5.775065 -0.343416 -0.090780
H 4.908883 -2.608383 -0.614106
H -4.384101 -1.160305 -1.903081
H -3.674455 -3.009315 1.926854
H -5.150584 -2.618094 -0.035914
H -3.054987 3.627326 0.908894
H -1.775511 4.622868 0.181340
H -3.122718 4.048012 -0.809517


%chk=000249526-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249526

0 1
O 0.609971 -1.359033 -0.116176
O 1.645678 2.548156 0.824337
O -1.782988 2.172042 -1.780470
N -0.976110 2.015126 0.420325
C -0.399663 -0.387470 0.032469
C -0.047212 0.941608 0.247266
C 2.378153 0.298448 0.292195
C 1.967759 -1.022448 -0.010949
C 1.360128 1.351085 0.470977
C -1.728147 -1.040204 0.042835
C 3.768511 0.568475 0.403365
C 2.894906 -2.068126 -0.210634
C -2.887143 -0.443507 -0.519558
C -1.837839 -2.323250 0.656362
C 4.706202 -0.458402 0.209837
C 4.266524 -1.776973 -0.098721
C -4.131131 -1.106156 -0.443028
C -3.083823 -2.975061 0.732680
C -1.642524 2.672491 -0.628320
C -4.239338 -2.366196 0.187308
C -2.175127 4.050885 -0.252495
H 4.070004 1.593973 0.639559
H 2.532174 -3.072174 -0.448046
H -0.705276 2.632392 1.196856
H -2.800462 0.497752 -1.065715
H -0.945149 -2.795126 1.077425
H 5.777340 -0.248666 0.292944
H 5.000756 -2.574966 -0.251840
H -5.014737 -0.640036 -0.892372
H -3.154984 -3.955177 1.216801
H -5.208605 -2.874059 0.244218
H -2.453816 4.122195 0.813255
H -1.398936 4.810859 -0.459800
H -3.051598 4.281843 -0.876494


