%chk=000254666.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254666

0 1
O -3.934999 1.204788 -0.013349
O -4.243324 -1.127440 -0.049943
O -1.878529 2.140532 -0.031042
O -2.507194 -2.577941 0.027898
O 6.557359 0.867766 0.014577
O 6.321263 -1.283129 0.048397
N 0.241515 0.533658 -0.009415
N 5.878745 -0.146214 0.027897
C 1.647579 0.317582 0.000668
C 2.207853 -0.976128 0.025077
C 2.478464 1.461858 -0.014628
C -2.055736 -0.234740 -0.010335
C -0.696246 -0.473039 -0.002841
C 4.413511 0.014420 0.018509
C 3.591088 -1.124556 0.033900
C 3.858570 1.307252 -0.005703
C -2.579070 1.129332 -0.016410
C -2.912776 -1.429200 -0.010043
C -4.540502 2.544298 0.003279
C -5.188069 -2.250592 -0.073388
C -4.479204 3.116198 1.402710
C -5.237502 -2.853611 -1.460820
H -0.105599 1.529408 -0.023002
H 1.573018 -1.863970 0.037603
H 2.044763 2.463632 -0.033673
H -0.338728 -1.526054 0.008737
H 4.047390 -2.123029 0.052885
H 4.522797 2.181233 -0.017360
H -4.024685 3.174786 -0.741898
H -5.566474 2.295271 -0.325983
H -4.888062 -2.979892 0.699547
H -6.119620 -1.728096 0.212050
H -5.075113 4.032472 1.488672
H -4.855335 2.401011 2.146527
H -3.445453 3.365499 1.685880
H -6.052444 -3.580595 -1.554412
H -5.383552 -2.083591 -2.229515
H -4.298496 -3.376478 -1.699253


%chk=000254666-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000254666

0 1
O -3.900430 1.330848 -0.178944
O -4.254480 -1.296487 0.127170
O -1.736828 2.124810 0.085180
O -2.407114 -2.650401 -0.288702
O 6.630277 1.014507 0.161730
O 6.447245 -1.254309 -0.032488
N 0.263587 0.459111 0.016096
N 5.932689 -0.070572 0.059161
C 1.660593 0.274763 0.021075
C 2.275453 -1.006139 -0.080776
C 2.475808 1.437765 0.132996
C -2.076657 -0.261715 -0.057150
C -0.696382 -0.506224 -0.051256
C 4.463408 0.049957 0.046025
C 3.673949 -1.117581 -0.067345
C 3.873650 1.331023 0.145808
C -2.546856 1.134799 -0.029095
C -2.902608 -1.500992 -0.102415
C -4.382127 2.750907 -0.142254
C -5.120304 -2.517235 0.083820
C -4.588954 3.215423 1.301588
C -5.533829 -2.838620 -1.355100
H -0.140450 1.424290 0.078268
H 1.674921 -1.915031 -0.173337
H 2.001875 2.422427 0.210641
H -0.390191 -1.555317 -0.105132
H 4.167985 -2.089578 -0.144348
H 4.515239 2.211483 0.231487
H -3.652224 3.387459 -0.671576
H -5.329556 2.703376 -0.701747
H -4.570970 -3.358436 0.541513
H -5.982513 -2.235157 0.708792
H -5.043364 4.223616 1.303980
H -5.265127 2.530338 1.840930
H -3.627774 3.269345 1.838924
H -6.252704 -3.679123 -1.356384
H -6.019382 -1.967501 -1.827596
H -4.658653 -3.133127 -1.957736


