%chk=000240514.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240514

0 1
O 2.098042 0.316456 1.393123
O 0.321713 1.706817 -1.241248
O -3.671139 1.538387 1.103637
N -1.612230 0.468000 1.498988
N -1.796616 1.879250 -0.297728
C -0.319614 0.314302 0.742707
C 0.796520 0.783816 1.720980
C -0.477413 1.363294 -0.410364
C -0.201690 -1.086449 0.181239
C -2.525458 1.309361 0.806750
C -1.094193 -1.490266 -0.829600
C 0.743859 -1.999098 0.663629
C -2.349397 2.952182 -1.145609
C 2.733321 0.947192 0.240926
C -1.036686 -2.785457 -1.344396
C 0.798030 -3.297883 0.144742
C 4.186130 0.486586 0.353243
C -0.089977 -3.694424 -0.856765
C 5.016307 1.015806 -0.810001
H 0.640575 0.335163 2.725423
H 0.789338 1.885300 1.813917
H -1.960713 -0.333831 2.021093
H -1.836219 -0.795496 -1.222788
H 1.463512 -1.698970 1.433122
H -2.179412 3.942456 -0.687493
H -3.437892 2.809697 -1.274718
H -1.861550 2.935234 -2.137274
H 2.621800 2.040701 0.308473
H 2.230847 0.577948 -0.671927
H -1.728945 -3.088968 -2.128748
H 1.540653 -3.998291 0.525273
H 4.609729 0.821545 1.321250
H 4.220174 -0.621397 0.384625
H -0.046228 -4.705043 -1.260106
H 5.030414 2.111916 -0.834844
H 6.056416 0.676856 -0.737369
H 4.627090 0.671405 -1.776164


%chk=000240514-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240514

0 1
O 2.178694 0.096360 1.068429
O 0.447873 0.970033 -1.654150
O -3.259619 2.226410 0.953907
N -1.587435 0.556081 1.251348
N -1.465598 1.844273 -0.585486
C -0.375285 0.062718 0.563060
C 0.835696 0.387396 1.531004
C -0.370181 0.982369 -0.702717
C -0.494862 -1.418265 0.156799
C -2.229071 1.601694 0.606292
C -1.777600 -2.003995 -0.002119
C 0.657975 -2.197226 -0.117854
C -1.834572 2.861848 -1.571526
C 2.896937 1.205583 0.392463
C -1.907496 -3.348874 -0.412387
C 0.523165 -3.542926 -0.525629
C 4.390591 0.870051 0.434709
C -0.756015 -4.125212 -0.674996
C 5.238325 1.958759 -0.260491
H 0.692710 -0.243225 2.429618
H 0.741951 1.455080 1.824775
H -1.940516 0.169242 2.124533
H -2.676498 -1.409193 0.194265
H 1.647176 -1.746952 -0.000666
H -1.017216 3.591807 -1.697986
H -2.738696 3.371744 -1.202199
H -2.040968 2.394018 -2.549085
H 2.692451 2.155678 0.934993
H 2.536482 1.300962 -0.647944
H -2.904967 -3.787436 -0.528600
H 1.421437 -4.136118 -0.730769
H 4.704664 0.750257 1.488604
H 4.548412 -0.106484 -0.061081
H -0.855081 -5.168694 -0.994432
H 5.117294 2.941047 0.234198
H 6.311329 1.698616 -0.231850
H 4.947609 2.076673 -1.321032


