%chk=000217338.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217338

0 1
O 1.957969 1.999904 0.086174
O 1.951195 0.502503 -1.576674
O -1.735735 0.921021 1.534231
N -0.607070 -0.194260 -0.174618
N -3.018164 -0.095091 -0.075434
C 0.683041 0.067321 0.530743
C 1.297554 -1.303053 0.883127
C 0.540661 -2.344260 0.037871
C -0.542747 -1.577519 -0.749604
C 1.566239 0.806876 -0.475989
C -1.785900 0.247254 0.517802
H 0.528013 0.714107 1.442234
H 1.176270 -1.505476 1.963384
H 2.383209 -1.334617 0.683767
H 1.225872 -2.867311 -0.652869
H 0.091185 -3.120187 0.681404
H -0.249895 -1.466098 -1.819144
H -1.519557 -2.094686 -0.711656
H -3.826871 0.408622 0.274330
H -3.064139 -0.310750 -1.060011
H 2.528870 2.547199 -0.515768


%chk=000217338-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217338

0 1
O 2.327443 1.671408 0.271721
O 1.194949 0.860785 -1.589999
O -1.595364 1.720806 0.572204
N -0.698370 -0.398501 0.203847
N -2.961434 0.044015 -0.306946
C 0.622169 0.019292 0.687802
C 1.351495 -1.339810 0.902504
C 0.757091 -2.240928 -0.211747
C -0.724512 -1.788778 -0.306087
C 1.359053 0.876556 -0.352488
C -1.742848 0.522160 0.172035
H 0.540481 0.614477 1.610876
H 1.087470 -1.726155 1.903078
H 2.448117 -1.244330 0.847318
H 1.268104 -2.044816 -1.170083
H 0.849643 -3.315403 0.017723
H -1.087926 -1.827898 -1.351474
H -1.381673 -2.426203 0.322042
H -3.725518 0.713385 -0.344815
H -3.109086 -0.904892 -0.640365
H 2.800715 2.216329 -0.413847


