%chk=000212383.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212383

0 1
O 3.859822 -0.829322 -0.388840
O 4.110436 1.236718 0.556501
N -0.361660 0.694780 -0.525909
N 2.487467 0.870148 -1.093604
N -3.916271 -0.392164 0.109992
C 0.434698 -0.545720 -0.806094
C 0.488087 1.709258 0.181766
C -1.589645 0.376981 0.274168
C 1.635915 -0.188923 -1.704539
C 1.696570 2.074586 -0.703855
C -2.679067 -0.134550 -0.695358
C -4.738962 0.857215 0.245867
C -4.725965 -1.520043 -0.458946
C 3.511699 0.497637 -0.199877
C -5.681629 0.732972 1.443957
C -4.040952 -2.856271 -0.166792
C 5.053211 -1.299848 0.316947
C 4.732430 -1.539398 1.777286
H 0.787629 -1.056391 0.116068
H -0.223360 -1.265007 -1.340407
H 0.837434 1.367744 1.180059
H -0.127920 2.620098 0.347187
H -1.950752 1.297261 0.782345
H -1.419408 -0.369499 1.079110
H 2.250625 -1.093309 -1.911908
H 1.279603 0.206591 -2.684187
H 2.358003 2.801187 -0.178778
H 1.352468 2.554407 -1.649093
H -2.336138 -1.075443 -1.177056
H -2.826740 0.594397 -1.520431
H -4.048955 1.714481 0.414433
H -5.316413 1.094743 -0.673554
H -5.725382 -1.510568 0.032788
H -4.908605 -1.412145 -1.549736
H -6.463239 -0.016461 1.275435
H -5.131648 0.421048 2.342494
H -6.170820 1.687556 1.660875
H -3.103819 -2.968533 -0.722743
H -3.792030 -2.940258 0.900084
H -4.691230 -3.696750 -0.428546
H 5.860930 -0.559609 0.175370
H 5.263862 -2.228516 -0.244326
H 3.847982 -2.176155 1.899370
H 4.523277 -0.588527 2.293400
H 5.568361 -2.019100 2.298976


%chk=000212383-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212383

0 1
O 4.245242 -0.657287 -0.613916
O 4.385520 1.342428 0.625039
N -0.481118 0.581312 -0.149703
N 2.378743 0.675165 -0.394276
N -4.178699 -0.358788 -0.064796
C 0.286097 -0.638574 -0.510092
C 0.327990 1.453151 0.741286
C -1.814529 0.280915 0.431077
C 1.601049 -0.265226 -1.223237
C 1.637026 1.872225 0.047410
C -2.788462 -0.349659 -0.589831
C -4.889783 0.921970 -0.326519
C -4.958190 -1.555563 -0.477470
C 3.709245 0.530484 -0.067467
C -6.026670 1.199540 0.675974
C -4.550016 -2.826704 0.291640
C 5.667769 -0.925570 -0.264407
C 5.781124 -1.631263 1.090213
H 0.521914 -1.253777 0.396818
H -0.317303 -1.260108 -1.194766
H 0.576032 0.941668 1.706563
H -0.260673 2.358603 0.978644
H -2.246928 1.237226 0.781875
H -1.749647 -0.389360 1.324165
H 2.208753 -1.160558 -1.416564
H 1.356577 0.219508 -2.190572
H 2.284182 2.446773 0.729223
H 1.396074 2.498628 -0.835149
H -2.490316 -1.393050 -0.797467
H -2.702709 0.209284 -1.552712
H -4.147929 1.739014 -0.251442
H -5.288736 0.958634 -1.372699
H -6.024463 -1.351141 -0.271230
H -4.879436 -1.737009 -1.580042
H -6.816981 0.428697 0.628800
H -5.628914 1.214524 1.705656
H -6.500233 2.176196 0.462624
H -3.490143 -3.090031 0.120065
H -4.689126 -2.673186 1.375833
H -5.164753 -3.688716 -0.028962
H 6.216522 0.032458 -0.259372
H 6.020989 -1.561820 -1.092594
H 5.187333 -2.562054 1.102243
H 5.430086 -0.969397 1.899603
H 6.837395 -1.892262 1.290434


