%chk=000246635.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246635

0 1
O -5.176068 1.144721 0.208721
O -1.685437 3.825324 0.164897
O -3.795882 -0.375524 1.149093
O 0.486765 -0.923570 0.377571
O 0.986874 -1.435488 -1.771396
O 7.681573 -1.161065 0.339093
O 7.024533 -0.387190 2.250221
N 6.818856 -0.806913 1.124293
C -5.815334 -1.134649 -0.088672
C -3.800884 2.930453 -0.615806
C -2.261454 2.889429 -0.775904
C -4.791452 -0.141055 0.502346
C -7.155708 -0.891222 0.614699
C -5.306236 -2.553994 0.184258
C -5.923419 -0.875244 -1.595216
C -4.336582 2.261286 0.644068
C -1.814370 3.428290 -2.134629
C -1.742545 1.550198 -0.518189
C -1.347056 0.436917 -0.277960
C -0.943078 -0.903510 0.059575
C 2.768804 -1.061636 -0.164721
C 1.364308 -1.162357 -0.656703
C 3.798359 -1.456594 -1.033564
C 3.056043 -0.580815 1.120427
C 5.403814 -0.894870 0.673342
C 5.126862 -1.374497 -0.614742
C 4.383073 -0.495634 1.546697
H -4.116094 3.994478 -0.640926
H -4.278246 2.458929 -1.502264
H -7.498091 0.143428 0.475280
H -7.935732 -1.550664 0.216880
H -7.092768 -1.076270 1.693323
H -4.348851 -2.747065 -0.314035
H -6.020845 -3.304918 -0.170567
H -5.146297 -2.728172 1.256501
H -4.969091 -1.035865 -2.109490
H -6.659666 -1.541912 -2.058846
H -6.238497 0.157397 -1.799947
H -3.551984 1.892647 1.329701
H -5.052186 2.899113 1.192708
H -2.169994 2.805021 -2.960886
H -0.716385 3.467760 -2.189418
H -2.169311 4.455425 -2.287445
H -1.665050 3.460180 1.069868
H -1.152971 -1.630851 -0.754551
H -1.398624 -1.241517 1.021933
H 3.552718 -1.823822 -2.036213
H 2.238537 -0.275095 1.783070
H 5.947006 -1.677139 -1.276107
H 4.630962 -0.122980 2.547335


%chk=000246635-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246635

0 1
O -5.288589 1.135013 -0.850336
O -2.980722 3.088192 1.185002
O -4.842368 1.028322 1.427767
O 0.460721 -1.215493 0.100695
O 0.955547 -1.053458 -2.179087
O 7.774760 -0.923680 -0.357818
O 7.176534 -0.981240 1.842590
N 6.893420 -0.966734 0.583747
C -5.677415 -0.995083 0.249120
C -3.582382 2.976042 -1.242028
C -2.481966 2.721983 -0.150469
C -5.212198 0.465417 0.362416
C -7.230575 -0.975983 0.097221
C -5.279120 -1.750464 1.539486
C -5.041696 -1.670670 -0.997109
C -5.022134 2.611127 -0.862333
C -1.278062 3.660938 -0.400652
C -2.006422 1.313535 -0.184297
C -1.541979 0.170572 -0.212801
C -1.007267 -1.190335 -0.234086
C 2.763031 -1.071831 -0.539689
C 1.334612 -1.105164 -0.985143
C 3.767664 -1.025717 -1.541172
C 3.121018 -1.080129 0.833602
C 5.457763 -1.002537 0.192389
C 5.126512 -0.991021 -1.180676
C 4.477393 -1.045459 1.207817
H -3.594411 4.066836 -1.438333
H -3.299969 2.473371 -2.185405
H -7.533435 -0.436380 -0.816712
H -7.601437 -2.014811 0.029614
H -7.711770 -0.496081 0.968648
H -4.182154 -1.764600 1.671223
H -5.638636 -2.793848 1.483056
H -5.714172 -1.272732 2.433252
H -3.938999 -1.676204 -0.928617
H -5.389512 -2.717816 -1.060350
H -5.323891 -1.146323 -1.924436
H -5.292666 3.033698 0.121179
H -5.717210 2.977809 -1.634538
H -0.890559 3.545025 -1.427633
H -0.471642 3.441135 0.316918
H -1.608895 4.702337 -0.246092
H -3.642275 2.390962 1.480655
H -1.140432 -1.657670 -1.227192
H -1.458622 -1.819667 0.550829
H 3.461913 -1.016433 -2.591860
H 2.334461 -1.110475 1.591298
H 5.923391 -0.955506 -1.927564
H 4.787741 -1.049873 2.255609


