%chk=000201858.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201858

0 1
O 4.643821 0.394222 0.469662
O 0.681343 -2.666177 -0.026520
N 1.890503 0.032020 -0.202627
C 0.478939 0.479554 -0.443219
C -0.507196 -0.536757 0.181643
C 2.313011 0.299634 1.212468
C 2.834798 0.708842 -1.152566
C 3.742105 -0.229462 1.407013
C 4.252301 0.169622 -0.899262
C -1.912136 0.016625 0.114104
C -0.437468 -1.917808 -0.506690
C -2.596459 0.325636 1.299361
C -2.544655 0.225914 -1.121351
C -3.895572 0.838613 1.248114
C -3.843613 0.738616 -1.168010
C -4.521806 1.046990 0.015501
H 0.269642 1.494368 -0.039967
H 0.304640 0.537801 -1.539668
H -0.215387 -0.700241 1.253914
H 1.614384 -0.237337 1.892140
H 2.270620 1.377553 1.478980
H 2.830528 1.815441 -1.050363
H 2.522599 0.469723 -2.191280
H 4.169329 0.068133 2.380666
H 3.796080 -1.325685 1.284145
H 4.326665 -0.909354 -1.122634
H 5.018923 0.731720 -1.460872
H -1.300907 -2.553531 -0.232585
H -0.369090 -1.833444 -1.604575
H -2.119495 0.163018 2.264290
H -2.026855 -0.013721 -2.047711
H 1.516722 -2.147174 -0.169204
H -4.421268 1.075034 2.172096
H -4.329294 0.897066 -2.129693
H -5.533352 1.445745 -0.022701


%chk=000201858-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201858

0 1
O 4.765730 0.313448 0.359077
O 0.947552 -2.447521 -0.116859
N 1.911190 0.048553 -0.151756
C 0.494474 0.514229 -0.309231
C -0.536800 -0.480102 0.301978
C 2.440162 0.265893 1.229275
C 2.827954 0.667977 -1.153454
C 3.862299 -0.306586 1.342351
C 4.243709 0.087769 -0.997923
C -1.959211 0.050509 0.152428
C -0.383807 -1.894992 -0.339985
C -2.770605 0.272855 1.294449
C -2.516085 0.310947 -1.129210
C -4.097105 0.743271 1.166194
C -3.841531 0.780056 -1.262191
C -4.638199 0.999323 -0.114428
H 0.353654 1.527000 0.134724
H 0.301075 0.605037 -1.395523
H -0.320573 -0.593216 1.382723
H 1.782073 -0.247083 1.952500
H 2.454402 1.353783 1.473359
H 2.864783 1.775594 -1.027368
H 2.446523 0.446877 -2.167820
H 4.299044 -0.081560 2.328848
H 3.836485 -1.407477 1.191734
H 4.227249 -1.001732 -1.218632
H 4.952382 0.590162 -1.676368
H -1.108877 -2.592705 0.115603
H -0.613258 -1.827369 -1.429198
H -2.359091 0.071805 2.291490
H -1.915747 0.142566 -2.031686
H 1.580034 -1.649855 -0.238137
H -4.706598 0.908372 2.061948
H -4.254282 0.972168 -2.259222
H -5.666606 1.363204 -0.217091


