%chk=000249311.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249311

0 1
O -3.750767 0.701548 -0.742596
O 2.734935 -2.167452 0.816270
O 0.456882 -2.019317 -1.933283
O 0.011740 1.640358 -0.367524
O -2.724675 -0.526131 0.912570
N 0.051999 -1.245042 0.205316
N 2.241064 1.815716 -0.001049
N -2.734233 -1.225830 -1.315133
N 3.607988 -0.095348 0.588400
N 4.588796 2.046095 0.490177
C 1.191457 -0.379298 0.233113
C -1.781213 -2.323032 -1.080785
C -0.324443 -1.823520 -1.026561
C 1.010010 1.019414 -0.073859
C 2.464166 -0.877571 0.534915
C 3.468195 1.229384 0.337609
C -3.023467 -0.355819 -0.257046
C -4.184143 1.706265 0.239242
C -5.328207 1.166459 1.067199
H -2.050026 -2.865296 -0.140853
H -1.874252 -3.062176 -1.913345
H -0.696118 -0.960927 0.868092
H 2.153875 2.821556 -0.174140
H -2.823928 -0.888605 -2.274215
H -3.307339 1.994449 0.847088
H -4.478476 2.523369 -0.445820
H -5.764013 1.943885 1.705741
H -6.130208 0.760769 0.437032
H -4.990132 0.350124 1.725850
H 4.650200 2.909391 -0.028136
H 5.479008 1.575400 0.645261
H 1.907925 -2.740818 0.716469


%chk=000249311-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249311

0 1
O -4.101572 0.330287 -1.002697
O 2.738894 -1.744225 -1.304219
O 0.428622 -2.734362 -1.290249
O 0.380446 1.421958 1.560102
O -2.681600 0.002603 0.856455
N 0.117656 -0.880288 0.126533
N 2.638141 1.658819 0.990635
N -2.746432 -1.502722 -0.924488
N 3.767515 0.093053 -0.408521
N 4.935524 1.924237 0.441269
C 1.401025 -0.238878 0.120785
C -1.774095 -2.407619 -0.298480
C -0.308796 -1.999649 -0.521209
C 1.391495 0.966877 0.928861
C 2.603166 -0.644709 -0.530193
C 3.767692 1.201954 0.329800
C -3.143091 -0.360632 -0.263674
C -4.605909 1.594212 -0.380170
C -5.713870 1.302309 0.633918
H -1.986768 -2.447906 0.784961
H -1.889504 -3.414669 -0.726376
H -0.581111 -0.359620 0.700920
H 2.631750 2.509550 1.560098
H -3.097408 -1.682502 -1.865042
H -3.754022 2.112221 0.094219
H -4.971809 2.171864 -1.243870
H -6.130733 2.254269 1.012497
H -6.534065 0.727023 0.170518
H -5.314498 0.737388 1.492597
H 5.019494 2.769119 0.998632
H 5.744754 1.559134 -0.056045
H 1.821707 -2.271096 -1.391564


