%chk=000245533.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245533

0 1
O 3.493164 -3.244322 0.714820
O -3.590102 -3.088744 0.708147
O -2.325996 3.189502 0.443496
O 2.506579 3.083401 0.447849
O 0.117811 4.417551 1.092959
N 2.514460 -0.856549 -0.513307
N -2.504936 -0.746221 -0.517620
C 2.573164 0.599141 -0.877992
C -2.499143 0.710529 -0.882720
C 2.460411 -1.037697 0.975146
C 3.709050 -1.577160 -1.068016
C -2.463197 -0.929018 0.971027
C -3.728039 -1.414435 -1.075750
C 1.278981 1.283565 -0.525089
C -1.176825 1.337520 -0.527372
C 2.368385 -2.539897 1.282003
C 3.583906 -3.067902 -0.713398
C -2.437428 -2.433690 1.278483
C -3.668892 -2.909073 -0.720375
C 0.038277 0.714014 -0.843856
C -1.139715 2.586446 0.121932
C 1.295546 2.532983 0.124166
C 0.091705 3.199736 0.418025
H 2.723025 0.670886 -1.981265
H 3.430742 1.134417 -0.405424
H -3.333295 1.283018 -0.411835
H -2.643640 0.788626 -1.986260
H 1.555351 -0.516673 1.355898
H 3.336588 -0.596499 1.496895
H 4.673357 -1.179803 -0.684551
H 3.713302 -1.453769 -2.171583
H -3.320926 -0.450006 1.490084
H -1.537496 -0.447637 1.354324
H -3.723580 -1.291411 -2.179360
H -4.675314 -0.975383 -0.695322
H 2.473897 -2.754611 2.359302
H 1.435222 -2.981277 0.889300
H 2.698975 -3.527277 -1.188597
H 4.496191 -3.635388 -0.965637
H -1.523188 -2.915343 0.888617
H -2.555321 -2.643249 2.355514
H -4.604253 -3.436440 -0.975160
H -2.803388 -3.406683 -1.192849
H 0.017078 -0.271184 -1.332905
H -2.161399 3.994144 1.017986
H 2.376426 3.894544 1.022078
H 0.134483 5.150919 0.422393


%chk=000245533-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245533

0 1
O 3.234079 -3.475412 0.561588
O -3.369719 -3.290886 0.657266
O -2.344398 3.452219 0.267790
O 2.527489 3.357959 0.317950
O 0.113063 4.753282 0.703801
N 2.497567 -0.840193 -0.411543
N -2.470446 -0.738988 -0.400004
C 2.618407 0.622346 -0.624535
C -2.518461 0.717989 -0.677781
C 2.351046 -1.200300 1.022314
C 3.619351 -1.598009 -1.020443
C -2.393782 -1.041219 1.052726
C -3.604900 -1.470531 -1.018066
C 1.305819 1.361513 -0.394952
C -1.185763 1.409278 -0.419789
C 2.124302 -2.713745 1.159422
C 3.377030 -3.107680 -0.857388
C -2.246881 -2.556023 1.264095
C -3.442278 -2.980955 -0.780771
C 0.050382 0.754356 -0.635958
C -1.149103 2.751580 0.027299
C 1.311003 2.704363 0.052636
C 0.092087 3.397033 0.216984
H 2.943651 0.775506 -1.673884
H 3.409844 1.080382 0.015457
H -3.315737 1.234959 -0.092711
H -2.790786 0.838083 -1.746333
H 1.486598 -0.654444 1.443156
H 3.260232 -0.908910 1.606999
H 4.600701 -1.335291 -0.549616
H 3.679678 -1.350000 -2.097630
H -3.308088 -0.680993 1.588913
H -1.519435 -0.518356 1.482504
H -3.614332 -1.268880 -2.106537
H -4.588717 -1.140832 -0.597175
H 2.094173 -3.020471 2.218073
H 1.169120 -2.991202 0.661185
H 2.458438 -3.397394 -1.412233
H 4.235616 -3.691943 -1.228026
H -1.288888 -2.901184 0.815988
H -2.270632 -2.815506 2.335470
H -4.313807 -3.540600 -1.159071
H -2.519012 -3.337918 -1.286515
H 0.034011 -0.289901 -0.964037
H -2.119201 4.295033 0.745545
H 2.325743 4.208489 0.792515
H 0.134937 5.386997 -0.060481


