%chk=000248022.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248022

0 1
O -0.760699 0.760606 -0.008098
O -6.225657 -0.023504 -0.039476
O -2.219671 -3.058369 0.540978
N 2.419056 -0.781297 -0.116276
C -2.694056 -0.755258 0.169495
C 0.077000 -0.336342 0.172394
C -2.139417 0.522233 -0.012625
C 1.486364 0.137212 0.148644
C 4.131654 0.968401 0.113477
C -1.798945 -1.934114 0.373154
C 3.747726 -0.381763 -0.137223
C -0.368730 -1.591941 0.351994
C -4.083785 -0.888327 0.151851
C 1.789409 1.516059 0.409383
C -2.921400 1.668375 -0.213588
C 3.101022 1.918285 0.390277
C -4.875806 0.257554 -0.047601
C -4.307693 1.531723 -0.230526
C 5.519234 1.310047 0.076830
C 4.750745 -1.368778 -0.421261
C 6.459398 0.348967 -0.196388
C 6.070816 -1.002675 -0.447835
C -7.145801 1.074617 -0.243748
H 0.329974 -2.427154 0.479339
H -4.548387 -1.869562 0.290610
H 0.971403 2.208650 0.612145
H -2.444581 2.636988 -0.353971
H 3.374464 2.956385 0.583805
H -4.932392 2.408222 -0.385168
H 5.809286 2.342387 0.269310
H 4.427132 -2.394531 -0.610163
H 7.520070 0.598445 -0.226803
H 6.848333 -1.736909 -0.661472
H -6.995957 1.521155 -1.230619
H -8.115675 0.560365 -0.190611
H -7.050134 1.808752 0.560966


%chk=000248022-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248022

0 1
O -0.792832 0.867264 0.004510
O -6.324377 -0.111922 -0.017553
O -2.156794 -3.097853 -0.033677
N 2.445471 -0.760633 -0.001192
C -2.687116 -0.727856 -0.014318
C 0.098248 -0.214044 -0.002613
C -2.179099 0.600002 -0.001232
C 1.515131 0.222928 0.004001
C 4.213799 0.984493 0.010915
C -1.747321 -1.889329 -0.022327
C 3.780782 -0.401186 0.002179
C -0.330774 -1.522704 -0.015330
C -4.085791 -0.918342 -0.019518
C 1.852053 1.621532 0.011901
C -3.036767 1.715930 0.006756
C 3.194789 1.991665 0.015628
C -4.956773 0.190497 -0.011717
C -4.429659 1.515308 0.001579
C 5.614030 1.279733 0.014081
C 4.766157 -1.441783 -0.002505
C 6.553131 0.245217 0.009056
C 6.125623 -1.122546 0.000757
C -7.273668 1.004358 -0.013287
H 0.428499 -2.307304 -0.019934
H -4.478366 -1.939403 -0.029679
H 1.051671 2.363945 0.014948
H -2.611263 2.723476 0.017010
H 3.481226 3.049629 0.021882
H -5.092076 2.385211 0.008057
H 5.939761 2.326871 0.020475
H 4.413530 -2.477500 -0.008837
H 7.624100 0.475115 0.011479
H 6.875576 -1.920836 -0.003087
H -7.155329 1.638744 -0.913287
H -8.266710 0.532475 -0.022179
H -7.164562 1.623753 0.898256


