%chk=000299177.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299177

0 1
O 1.343943 0.877617 -1.028535
O 3.192791 2.133389 -1.430132
N 2.298452 1.942363 0.750055
C 0.544369 0.458374 0.123871
C 1.248137 1.091223 1.376086
C -0.887236 0.949128 -0.052088
C 0.400360 -1.054811 0.070324
C -1.778637 -0.165252 -0.088990
C -0.983263 -1.403485 -0.015339
C 1.813933 0.091901 2.373026
C 2.401852 1.698909 -0.637424
C -1.358816 2.242487 -0.166207
C 1.376500 -2.032631 0.054871
C -3.144298 0.030743 -0.213119
C -1.374399 -2.731393 -0.061130
C -2.749346 2.436361 -0.298743
C 0.973643 -3.383190 0.002514
C -3.623526 1.352051 -0.315532
C -0.375408 -3.725006 -0.044516
H 0.526622 1.773193 1.903012
H 3.124178 2.182077 1.290782
H 1.036818 -0.608471 2.713448
H 2.625799 -0.515423 1.953321
H 2.207799 0.592471 3.266487
H -0.678748 3.093744 -0.166413
H 2.434098 -1.775483 0.066076
H -3.834404 -0.808832 -0.239596
H -2.424447 -3.007372 -0.120212
H -3.136997 3.450057 -0.393544
H 1.733677 -4.163459 -0.008476
H -4.695522 1.520857 -0.416356
H -0.669328 -4.773836 -0.081021


%chk=000299177-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299177

0 1
O 1.498870 0.780474 -0.975909
O 3.036433 2.533429 -1.291659
N 2.029113 2.077085 0.812488
C 0.576222 0.364021 0.138689
C 1.240292 0.999260 1.437889
C -0.845091 0.901310 -0.078686
C 0.367526 -1.147278 0.106647
C -1.773369 -0.176770 -0.121751
C -1.021583 -1.446408 -0.013283
C 2.110762 0.074204 2.310070
C 2.280417 1.891283 -0.540826
C -1.274459 2.231575 -0.201246
C 1.320921 -2.177312 0.121339
C -3.151647 0.074089 -0.276499
C -1.465543 -2.782978 -0.063102
C -2.660557 2.484881 -0.366522
C 0.876991 -3.522877 0.060250
C -3.588828 1.415615 -0.398488
C -0.504791 -3.821858 -0.018277
H 0.430804 1.424691 2.057492
H 2.559001 2.766197 1.342975
H 1.517811 -0.766975 2.707370
H 2.963169 -0.333447 1.740454
H 2.513608 0.644481 3.167653
H -0.558099 3.060036 -0.183718
H 2.391275 -1.952716 0.150933
H -3.875654 -0.747378 -0.309191
H -2.531510 -3.019448 -0.152055
H -3.016103 3.515314 -0.474526
H 1.609368 -4.337288 0.065178
H -4.655824 1.630054 -0.525069
H -0.830928 -4.866965 -0.062121


