%chk=000254993.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254993

0 1
O -5.203144 -1.897583 -0.268324
O -5.825147 0.913690 -0.187924
O -1.498359 -3.418895 0.386200
O 6.153750 -1.875368 0.380673
N -0.819345 2.468343 -0.423488
N 1.596925 -0.426062 -0.968931
C -1.781976 -0.243060 0.232636
C -2.287516 0.994959 1.016380
C -2.836091 -1.373253 0.294567
C -1.420340 0.168111 -1.203029
C -0.360373 1.282691 -1.229856
C -1.219587 2.107917 0.976097
C -3.640424 1.492118 0.485620
C -4.183554 -0.883697 -0.264011
C -4.681106 0.370477 0.494740
C 1.009446 0.849078 -0.788554
C 0.242947 3.526317 -0.407467
C -2.383192 -2.647130 -0.436748
C 1.915581 1.689332 -0.155669
C 1.604955 3.098536 0.192579
C 3.120285 0.936749 0.083730
C 2.894676 -0.383413 -0.441948
C -5.539637 -2.509934 0.991314
C 4.360209 1.235505 0.680588
C 3.869704 -1.400484 -0.383877
C 5.329982 0.256896 0.749878
C 5.069200 -1.043853 0.216676
C 6.050392 -3.233266 -0.111060
H -0.852425 -0.612550 0.734592
H -2.418286 0.701651 2.088546
H -2.974350 -1.648239 1.373130
H -2.327755 0.540982 -1.725858
H -1.074058 -0.703219 -1.787394
H -0.276446 1.653030 -2.293209
H -1.629404 3.031025 1.442911
H -0.349950 1.790387 1.594663
H -4.010001 2.347818 1.082197
H -3.530893 1.901281 -0.542419
H -4.125364 -0.676908 -1.361532
H -5.004416 0.112617 1.527656
H -0.154757 4.405588 0.140906
H 0.388137 3.855528 -1.460491
H -1.887778 -2.435612 -1.400298
H -3.232148 -3.342627 -0.605832
H 1.600290 3.219200 1.295330
H 2.403046 3.773522 -0.177884
H 1.169190 -1.202318 -1.430758
H -6.426977 0.183046 -0.459864
H -0.718038 -2.891474 0.645811
H -6.363993 -3.178232 0.710606
H -5.875679 -1.762786 1.714858
H -4.693101 -3.086565 1.377089
H 4.539923 2.232740 1.079851
H 3.677420 -2.382783 -0.787186
H 6.301826 0.440894 1.201112
H 5.900464 -3.233818 -1.194423
H 5.251668 -3.766353 0.412380
H 7.034693 -3.642848 0.150615


%chk=000254993-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000254993

0 1
O -5.323625 -1.906033 -0.240947
O -5.975001 0.872018 -0.146409
O -1.217391 -3.247527 0.162198
O 6.252092 -1.934731 0.397688
N -0.796998 2.454366 -0.441743
N 1.663291 -0.401000 -0.947583
C -1.824118 -0.235428 0.220899
C -2.330688 1.035608 0.965468
C -2.887654 -1.378385 0.289237
C -1.392073 0.143559 -1.218391
C -0.331754 1.271449 -1.236534
C -1.224379 2.111198 0.941301
C -3.687201 1.523699 0.402706
C -4.244972 -0.876295 -0.253179
C -4.730589 0.399344 0.469979
C 1.051381 0.858066 -0.759928
C 0.242104 3.524891 -0.451525
C -2.434180 -2.668094 -0.430363
C 1.938367 1.701413 -0.093171
C 1.579490 3.126148 0.259598
C 3.151327 0.943452 0.154056
C 2.955029 -0.368833 -0.401413
C -5.613415 -2.525940 1.060380
C 4.394244 1.233508 0.779934
C 3.942615 -1.380278 -0.359441
C 5.387667 0.244372 0.834102
C 5.164086 -1.048968 0.269167
C 6.095183 -3.276146 -0.161277
H -0.916986 -0.577542 0.768039
H -2.484243 0.761389 2.031951
H -3.004380 -1.627019 1.366298
H -2.261486 0.494906 -1.800671
H -0.993705 -0.736593 -1.760404
H -0.254250 1.624317 -2.287903
H -1.591822 3.043831 1.411149
H -0.373724 1.736118 1.561360
H -4.053795 2.386128 0.990281
H -3.585499 1.873942 -0.639256
H -4.175848 -0.653461 -1.334872
H -4.915338 0.147247 1.540808
H -0.185653 4.429888 0.018536
H 0.453387 3.766272 -1.510869
H -2.292747 -2.479176 -1.515920
H -3.195060 -3.457396 -0.329075
H 1.483528 3.244374 1.358876
H 2.376706 3.828129 -0.056126
H 1.273241 -1.171318 -1.486566
H -6.508967 0.060506 -0.362941
H -0.527038 -2.540552 0.245331
H -6.448756 -3.217070 0.867123
H -5.924518 -1.784053 1.822273
H -4.749952 -3.101640 1.447187
H 4.582671 2.220660 1.216180
H 3.762622 -2.369251 -0.791287
H 6.356881 0.432480 1.305569
H 5.920133 -3.240225 -1.255193
H 5.264414 -3.823589 0.327215
H 7.046448 -3.789037 0.043996


