%chk=000265623.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265623

0 1
O 9.029434 0.148291 0.518722
O -9.028757 -0.147897 0.516650
O 5.322661 1.513263 -1.840069
O -5.321398 -1.513512 -1.840853
N 7.015543 -0.839869 1.032145
N -7.014852 0.839782 1.030895
N 7.176525 0.845389 -0.693771
N -7.175547 -0.845291 -0.695223
N 3.591627 -0.255193 -0.180883
N -3.590675 0.254961 -0.181422
N 4.940987 -1.967599 1.480245
N -4.940158 1.966840 1.479943
C 5.631769 -0.968839 0.806929
C -5.630968 0.968557 0.806160
C 5.000938 -0.136781 -0.132889
C -4.999976 0.136519 -0.133630
C 7.839336 0.080267 0.276583
C -7.838554 -0.080129 0.274940
C 5.751438 0.786761 -0.964361
C -5.750330 -0.786915 -0.965298
C 7.721274 -1.716818 2.001655
C -7.720734 1.716540 2.000462
C 8.021924 1.766696 -1.503137
C -8.020824 -1.766413 -1.504930
C 1.394019 0.165468 -1.023968
C -1.392938 -0.165834 -1.024115
C 2.862603 0.357268 -1.061407
C -2.861513 -0.357674 -1.061706
C 0.692114 0.085791 -2.240099
C -0.690852 -0.086575 -2.240170
C 0.694144 0.080211 0.188674
C -0.693239 -0.080144 0.188599
H 7.371312 -1.531887 3.029702
H 8.812476 -1.494194 1.982814
H 7.600720 -2.781205 1.738106
H -7.370652 1.531730 3.028487
H -8.811881 1.493589 1.981718
H -7.600554 2.780952 1.736865
H 8.565266 1.206360 -2.282375
H 8.756724 2.283950 -0.862396
H 7.378362 2.520584 -1.997226
H -8.755831 -2.283693 -0.864450
H -7.377200 -2.520290 -1.998959
H -8.563918 -1.205920 -2.284228
H 3.226777 1.025092 -1.865431
H -3.225570 -1.025667 -1.865644
H 5.270998 -2.317677 2.364308
H 3.924826 -1.984276 1.358260
H -3.923977 1.983497 1.358394
H -5.270964 2.318138 2.363175
H 1.230304 0.152269 -3.185341
H -1.228904 -0.153375 -3.185468
H 1.238558 0.140416 1.130525
H -1.237793 -0.140017 1.130391


%chk=000265623-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000265623

0 1
O 9.141779 -0.003206 0.476265
O -9.140985 0.002769 0.474630
O 5.543664 -0.000060 -2.532349
O -5.542366 -0.000120 -2.533380
N 6.963041 -0.003842 1.350248
N -6.962394 0.003651 1.348980
N 7.337467 -0.001078 -1.013210
N -7.336422 0.000921 -1.014542
N 3.633681 -0.001164 -0.187410
N -3.632775 0.001102 -0.188114
N 4.741703 -0.004252 2.214267
N -4.741198 0.004115 2.213370
C 5.589871 -0.003157 1.143032
C -5.589189 0.003040 1.141994
C 5.033378 -0.001640 -0.164026
C -5.032475 0.001603 -0.164971
C 7.894548 -0.002662 0.264845
C -7.893718 0.002470 0.263419
C 5.918909 -0.000705 -1.316187
C -5.917813 0.000725 -1.317281
C 7.522488 -0.005937 2.716190
C -7.522070 0.005626 2.714827
C 8.294556 -0.000142 -2.143718
C -8.293321 -0.000174 -2.145211
C 1.434926 -0.000358 -1.234082
C -1.433825 0.000335 -1.234366
C 2.899656 -0.000813 -1.286790
C -2.898546 0.000795 -1.287358
C 0.703455 -0.000212 -2.456881
C -0.702112 0.000263 -2.457020
C 0.700200 -0.000229 -0.008053
C -0.699342 0.000131 -0.008192
H 7.214708 0.899997 3.269754
H 8.617753 -0.006900 2.614725
H 7.212763 -0.912492 3.267627
H -7.214322 -0.900321 3.268388
H -8.617318 0.006524 2.613177
H -7.212501 0.912169 3.266370
H 8.937793 -0.894089 -2.096389
H 8.936626 0.894633 -2.095850
H 7.699361 -0.000158 -3.068183
H -8.935290 -0.895026 -2.097421
H -7.697970 -0.000112 -3.069576
H -8.936674 0.893697 -2.098020
H 3.368303 -0.001510 -2.283493
H -3.367002 0.001565 -2.284150
H 5.041052 -0.004897 3.183226
H 3.751949 -0.003847 1.937262
H -3.751399 0.003793 1.936527
H -5.040707 0.004722 3.182279
H 1.252759 -0.000381 -3.406334
H -1.251229 0.000491 -3.406582
H 1.261734 -0.000337 0.931941
H -1.261062 0.000183 0.931691


