%chk=000233631.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233631

0 1
O 4.372665 -0.084605 -0.633848
O 4.871906 1.761010 0.573850
O -2.409498 -0.287740 -0.374141
O -9.880887 -0.773050 -0.305533
O -8.840902 -2.357667 -1.347604
N 7.826941 -1.310093 -0.008554
N -1.603577 1.576116 0.763315
N -3.933422 1.165505 0.615004
N -8.863799 -1.323292 -0.699845
C 6.425449 -0.945483 0.365138
C 8.254032 -2.608021 0.609955
C 8.777774 -0.196568 0.327743
C 5.793216 -0.324067 -0.887369
C 7.545691 -3.775982 -0.077599
C 10.056552 -0.339330 -0.498472
C 4.030546 1.016463 0.118411
C 2.562604 1.116569 0.257714
C -0.200585 1.375103 0.563799
C 1.698875 0.169083 -0.313642
C 2.035912 2.198837 0.985110
C 0.318899 0.291851 -0.164075
C 0.660861 2.335497 1.142692
C -5.138146 0.499293 0.256532
C -2.619882 0.717856 0.269894
C -6.347610 1.097589 0.690231
C -5.160492 -0.695428 -0.490024
C -7.577162 -0.693343 -0.369497
C -7.560341 0.499539 0.375779
C -6.377695 -1.288380 -0.801063
H 6.355440 -0.235447 1.218493
H 5.842144 -1.843167 0.664426
H 8.076804 -2.641800 1.706439
H 9.353411 -2.711754 0.462043
H 8.288126 0.771940 0.076589
H 9.022549 -0.152445 1.410865
H 6.272492 0.623164 -1.185187
H 5.749315 -1.026006 -1.739361
H 7.954990 -4.734870 0.255772
H 7.666245 -3.718162 -1.168097
H 6.468533 -3.781791 0.123656
H 10.690408 0.547361 -0.396026
H 9.821810 -0.465652 -1.564346
H 10.646333 -1.212296 -0.197263
H 2.117550 -0.670261 -0.880222
H 2.719823 2.932562 1.425650
H -0.345934 -0.454579 -0.614275
H 0.266827 3.177050 1.707266
H -1.858462 2.405584 1.304244
H -4.044885 2.025626 1.157759
H -6.340085 2.020501 1.267021
H -4.225123 -1.161552 -0.828173
H -8.508055 0.945907 0.701572
H -6.413782 -2.219075 -1.381748


%chk=000233631-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233631

0 1
O 4.419941 -0.355024 -0.730367
O 4.838839 1.661617 0.373890
O -2.574437 -0.538136 -0.484146
O -10.224035 -0.179863 0.007812
O -9.383741 -2.003528 -1.079863
N 7.981115 -1.316632 0.129052
N -1.658959 1.358523 0.579191
N -3.975252 1.077443 0.517070
N -9.237755 -0.890021 -0.438436
C 6.514898 -1.224550 0.318589
C 8.578203 -2.584442 0.622983
C 8.698422 -0.096605 0.595073
C 5.889956 -0.541261 -0.913346
C 8.251902 -3.792020 -0.276208
C 10.008532 0.161036 -0.172746
C 4.023720 0.801867 -0.052490
C 2.544572 0.889811 0.085166
C -0.266298 1.148440 0.386608
C 1.667717 -0.097364 -0.432095
C 1.998541 2.012411 0.760327
C 0.272651 0.019999 -0.289784
C 0.610194 2.141030 0.910599
C -5.253584 0.536395 0.250426
C -2.717817 0.542354 0.150857
C -6.378909 1.274323 0.724019
C -5.459205 -0.684161 -0.455397
C -7.867930 -0.399085 -0.200692
C -7.683506 0.813624 0.501941
C -6.767347 -1.145625 -0.677134
H 6.240199 -0.654575 1.235603
H 6.086682 -2.236941 0.422252
H 8.266489 -2.801087 1.676278
H 9.674966 -2.449534 0.643936
H 8.023168 0.767118 0.450058
H 8.906268 -0.148130 1.693372
H 6.354771 0.443389 -1.093233
H 5.982958 -1.177393 -1.806048
H 8.735567 -4.706888 0.114250
H 8.614061 -3.609398 -1.302909
H 7.164866 -3.986588 -0.327793
H 10.491707 1.087169 0.190802
H 9.802128 0.268519 -1.251867
H 10.731944 -0.665065 -0.046508
H 2.090291 -0.961336 -0.952067
H 2.681609 2.770449 1.156512
H -0.399324 -0.739548 -0.690603
H 0.199581 3.014411 1.434151
H -1.888874 2.215436 1.087873
H -3.985717 1.960621 1.032683
H -6.226426 2.214759 1.268344
H -4.596971 -1.245642 -0.815954
H -8.556397 1.366950 0.857013
H -6.949573 -2.079150 -1.216047


