%chk=000298422.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298422

0 1
O 6.192997 1.613215 -1.039110
O -0.906093 -0.561687 1.173916
O -2.211475 1.552279 0.495950
N 3.862252 -1.009111 -0.129226
C 6.403314 -0.783824 -0.707117
C 5.703582 -1.723242 -1.711726
C 6.224491 -1.329755 0.724887
C 4.205750 -1.841738 -1.337031
C 4.712313 -1.448398 1.035096
C 5.666187 0.561830 -0.764600
C 4.205713 0.383401 -0.435388
C 3.351666 1.421295 -0.448585
C 1.912619 1.446849 -0.185304
C 1.209675 0.340984 0.335361
C 1.211509 2.634034 -0.459256
C -0.157994 0.431271 0.560657
C -0.167457 2.735067 -0.241970
C -0.863513 1.632055 0.255865
C -0.730709 -1.911403 0.664547
C -3.008547 2.759478 0.276424
C -1.443431 -2.115236 -0.644978
C -4.415532 2.360708 0.629497
C -1.065037 -3.178481 -1.477735
C -2.498119 -1.272963 -1.021251
C -5.484361 3.122803 0.134192
C -4.662610 1.255579 1.454948
C -1.744442 -3.396314 -2.679572
C -3.171205 -1.493213 -2.225250
C -6.795635 2.777494 0.471041
C -5.977352 0.912853 1.782154
C -2.797359 -2.555455 -3.054978
C -7.044278 1.673212 1.293438
H 7.477022 -0.657452 -0.957255
H 6.190039 -2.714056 -1.700958
H 5.819763 -1.338241 -2.740661
H 6.722405 -0.665140 1.453472
H 6.722430 -2.310534 0.818127
H 3.931391 -2.892368 -1.117646
H 3.558210 -1.509875 -2.175208
H 4.437177 -0.826939 1.912427
H 4.437223 -2.492509 1.283465
H 3.783244 2.407630 -0.702875
H 1.739668 -0.588999 0.564830
H 1.742241 3.500644 -0.855454
H -0.676496 3.665635 -0.473108
H 0.344892 -2.155890 0.610245
H -1.209422 -2.494739 1.479091
H -2.631066 3.554725 0.946559
H -2.905892 3.058655 -0.782322
H -0.245295 -3.834326 -1.194199
H -2.779293 -0.437484 -0.367996
H -5.299312 3.979966 -0.509299
H -3.822348 0.664356 1.831290
H -1.451829 -4.221979 -3.325167
H -3.989359 -0.835948 -2.515231
H -7.626193 3.369412 0.090119
H -6.168575 0.051383 2.420432
H -3.323883 -2.727016 -3.991263
H -8.067159 1.406301 1.551688


%chk=000298422-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298422

0 1
O 5.864115 1.558157 -1.295821
O -1.438791 -0.578061 0.702783
O -2.546472 1.801686 0.633273
N 3.481541 -1.086187 -0.342719
C 6.014989 -0.887526 -0.929028
C 5.309848 -1.853615 -1.930961
C 5.846058 -1.456575 0.513363
C 3.790860 -1.947185 -1.539787
C 4.308316 -1.560824 0.823971
C 5.294607 0.465652 -0.992392
C 3.850766 0.304595 -0.648285
C 2.997531 1.382617 -0.621211
C 1.576545 1.469388 -0.304673
C 0.777531 0.327750 0.019827
C 0.960313 2.750660 -0.313031
C -0.581586 0.468859 0.333279
C -0.406061 2.900425 -0.005432
C -1.189857 1.769213 0.319665
C -0.917922 -1.959274 0.637865
C -3.213770 3.108888 0.675930
C -0.831931 -2.498475 -0.782685
C -4.661090 2.896617 1.086145
C 0.236353 -3.344260 -1.165577
C -1.850131 -2.199343 -1.722900
C -5.562210 3.988095 1.006693
C -5.122349 1.646843 1.563041
C 0.282691 -3.898256 -2.465615
C -1.799888 -2.743795 -3.024386
C -6.907783 3.835229 1.405931
C -6.471519 1.495038 1.958819
C -0.736326 -3.599606 -3.398481
C -7.367373 2.585666 1.884499
H 7.078433 -0.749951 -1.184571
H 5.798603 -2.845384 -1.878257
H 5.430716 -1.481307 -2.963988
H 6.354056 -0.799860 1.241961
H 6.332992 -2.449018 0.567307
H 3.507436 -2.984383 -1.282581
H 3.138840 -1.620536 -2.366883
H 4.035253 -0.949912 1.700881
H 4.013087 -2.604917 1.036135
H 3.490829 2.333650 -0.875725
H 1.280536 -0.643306 0.003247
H 1.558295 3.634405 -0.563286
H -0.854219 3.897664 -0.022428
H 0.057795 -2.033050 1.157366
H -1.666056 -2.520579 1.225201
H -2.690970 3.761723 1.407500
H -3.156226 3.591937 -0.321981
H 1.037904 -3.564219 -0.448767
H -2.665755 -1.528652 -1.430350
H -5.215443 4.960120 0.631785
H -4.422641 0.807908 1.611231
H 1.113794 -4.553077 -2.751694
H -2.588298 -2.502945 -3.746337
H -7.595695 4.685671 1.340495
H -6.821861 0.523328 2.325107
H -0.700010 -4.023673 -4.408250
H -8.411896 2.464766 2.192781


