%chk=000250661.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250661

0 1
O -0.859063 2.603876 0.000029
O 0.859077 -2.603862 -0.000255
N -1.345384 0.359234 -0.000104
N 1.345398 -0.359221 -0.000052
N 2.047581 1.842277 -0.000161
N -2.047567 -1.842264 0.000277
C -0.984309 -1.042916 0.000028
C 0.984323 1.042929 -0.000074
C -2.766593 0.380694 0.000045
C 2.766607 -0.380681 -0.000113
C -0.439434 1.479200 -0.000018
C 0.439448 -1.479187 -0.000118
C 3.180690 0.996217 -0.000138
C -3.180676 -0.996205 0.000283
C -3.692443 1.433157 -0.000048
C 3.692456 -1.433143 -0.000101
C 4.550224 1.320162 -0.000160
C -4.550211 -1.320149 0.000435
C -5.035096 1.081843 0.000152
C 5.035109 -1.081829 -0.000120
C 5.457574 0.272127 -0.000151
C -5.457561 -0.272113 0.000392
H -3.356334 2.471303 -0.000165
H 3.356347 -2.471289 -0.000094
H 4.863138 2.364481 -0.000216
H -4.863125 -2.364467 0.000656
H -5.795558 1.865624 0.000144
H 5.795571 -1.865610 -0.000117
H 6.527714 0.483475 -0.000176
H -6.527702 -0.483462 0.000539


%chk=000250661-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250661

0 1
O -0.848921 2.645721 -0.000012
O 0.848935 -2.645708 0.000107
N -1.340192 0.346753 0.000069
N 1.340205 -0.346740 0.000001
N 2.042298 1.847390 -0.000153
N -2.042285 -1.847377 0.000223
C -0.977364 -1.038420 0.000130
C 0.977377 1.038433 -0.000040
C -2.754226 0.387003 0.000147
C 2.754240 -0.386990 -0.000080
C -0.439388 1.463959 0.000036
C 0.439401 -1.463946 0.000074
C 3.164140 0.990088 -0.000183
C -3.164126 -0.990074 0.000228
C -3.678571 1.450377 0.000124
C 3.678584 -1.450364 -0.000072
C 4.536315 1.330901 -0.000281
C -4.536302 -1.330887 0.000302
C -5.044920 1.088676 0.000176
C 5.044933 -1.088663 -0.000169
C 5.469340 0.274858 -0.000271
C -5.469327 -0.274844 0.000261
H -3.351524 2.491849 0.000051
H 3.351538 -2.491835 -0.000002
H 4.843630 2.380740 -0.000350
H -4.843617 -2.380727 0.000357
H -5.802787 1.879566 0.000141
H 5.802800 -1.879553 -0.000166
H 6.541279 0.498888 -0.000339
H -6.541265 -0.498875 0.000293


