%chk=000261517.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261517

0 1
O -0.366771 -1.615050 -1.255389
O 4.138926 -1.988553 -0.001924
O 1.182699 3.510000 0.230468
O -0.536978 2.235631 -0.025857
N 0.671579 2.408559 0.086356
N -3.283003 -1.617274 0.246931
C -0.363207 -0.369473 -0.537169
C 1.096279 -0.069218 -0.226291
C -1.192134 -0.468471 0.755470
C 1.554810 1.245344 0.060583
C 2.011070 -1.113142 -0.233672
C -2.663106 -0.419002 0.444553
C 3.373170 -0.862719 0.039169
C 2.922780 1.476475 0.325081
C 3.839051 0.435462 0.322651
C -3.345801 0.809237 0.349574
C -4.711764 0.794681 0.065264
C -4.613592 -1.611474 -0.030733
C -5.363748 -0.429175 -0.123425
C 5.564366 -1.864965 0.247802
H -0.783502 0.393091 -1.243695
H -0.926860 0.362293 1.445478
H -0.935075 -1.406362 1.296832
H 1.680692 -2.131073 -0.478016
H 3.255518 2.502423 0.535430
H 4.886801 0.630387 0.530602
H -1.159414 -2.155005 -1.019299
H -2.804178 1.748878 0.481885
H -5.265764 1.730729 -0.011846
H -5.074939 -2.594322 -0.181108
H -6.427492 -0.465692 -0.342122
H 5.741469 -1.498534 1.262839
H 6.028409 -1.227465 -0.510278
H 5.896112 -2.907620 0.141454


%chk=000261517-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000261517

0 1
O -0.481167 -1.566295 -1.115407
O 4.038972 -2.146333 0.223006
O 1.658933 3.716781 -0.342416
O -0.305170 2.570398 -0.373799
N 0.991799 2.606184 -0.298752
N -3.038794 -1.315797 -0.391649
C -0.354584 -0.210555 -0.588593
C 1.123812 0.053359 -0.295595
C -1.218466 -0.079184 0.711588
C 1.735015 1.343457 -0.155853
C 1.961377 -1.070322 -0.169405
C -2.698688 -0.263218 0.428722
C 3.343499 -0.945337 0.111125
C 3.120940 1.471505 0.111072
C 3.934357 0.339364 0.255324
C -3.691376 0.589109 0.970866
C -5.051777 0.341443 0.683237
C -4.351293 -1.543610 -0.673116
C -5.393948 -0.747764 -0.150486
C 5.482197 -2.089363 0.492256
H -0.722635 0.530346 -1.325756
H -1.050821 0.897971 1.189547
H -0.876362 -0.873506 1.405051
H 1.519060 -2.057288 -0.323261
H 3.537507 2.478260 0.197168
H 4.999519 0.462587 0.467760
H -1.475107 -1.787710 -1.029576
H -3.393039 1.434820 1.597773
H -5.830791 0.990762 1.096579
H -4.562567 -2.389007 -1.336714
H -6.435705 -0.972994 -0.397013
H 5.688566 -1.595311 1.460662
H 6.018786 -1.564727 -0.320750
H 5.804358 -3.139424 0.534006


