%chk=000258529.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258529

0 1
I -4.911664 0.990297 -2.065977
I -1.322320 3.502345 2.147019
O 0.023648 -4.269659 1.542577
O 1.654351 -1.741759 -1.803210
O -3.432830 3.212734 -0.129320
N 0.842096 -1.306511 0.275308
N 1.037651 -4.294599 -0.494372
C -0.261031 -2.283288 0.148848
C -1.423124 -1.932126 1.096505
C -2.001761 -0.585619 0.778987
C 0.279172 -3.695851 0.497741
C -1.560180 0.553664 1.475297
C -2.963680 -0.449276 -0.234457
C 1.692984 -1.038878 -0.802118
C -3.469415 0.806804 -0.556483
C -2.046800 1.811382 1.142563
C 2.626877 0.108806 -0.599515
C -3.010504 1.948876 0.125549
C 2.147970 1.358846 -0.182387
C 3.989275 -0.075031 -0.872589
C 3.040866 2.421843 -0.024735
C 4.877035 0.991802 -0.707736
C 4.403851 2.237801 -0.283068
H -0.627131 -2.283649 -0.918336
H -1.088056 -1.998337 2.156329
H -2.197989 -2.729004 1.026529
H 0.912647 -0.799279 1.152685
H -0.832333 0.447023 2.284556
H -3.313462 -1.335830 -0.771868
H 1.474497 -5.187222 -0.321025
H 1.360115 -3.778458 -1.311564
H 1.083709 1.512322 0.006433
H 4.348739 -1.045205 -1.219989
H 2.671419 3.395544 0.297109
H 5.937273 0.852543 -0.915889
H 5.097791 3.068932 -0.157265
H -4.125086 3.243617 -0.868331


%chk=000258529-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258529

0 1
I -4.211543 1.260329 -2.624146
I -2.076895 3.402291 2.744332
O -0.123803 -4.345489 1.706855
O 1.802848 -1.965532 -1.691463
O -3.464886 3.324417 -0.123670
N 0.802012 -1.330177 0.301530
N 1.153470 -4.305112 -0.249279
C -0.262575 -2.352304 0.227481
C -1.466684 -1.955112 1.114279
C -2.024207 -0.579616 0.781857
C 0.261801 -3.767330 0.646772
C -1.863220 0.505640 1.678986
C -2.697535 -0.345996 -0.443331
C 1.721701 -1.142189 -0.710704
C -3.181188 0.937157 -0.753336
C -2.344701 1.791412 1.360361
C 2.621979 0.053611 -0.604150
C -3.014520 2.038414 0.133533
C 2.276762 1.213856 0.139354
C 3.853700 0.016560 -1.306704
C 3.164957 2.309624 0.196547
C 4.740897 1.110381 -1.244940
C 4.401393 2.257460 -0.488417
H -0.563203 -2.412402 -0.836732
H -1.160275 -2.012918 2.174330
H -2.236367 -2.737131 0.987626
H 0.838252 -0.738235 1.133239
H -1.372111 0.341622 2.644213
H -2.844684 -1.168397 -1.150068
H 1.566369 -5.215533 -0.045159
H 1.474198 -3.732543 -1.047987
H 1.301864 1.294893 0.636129
H 4.088252 -0.874729 -1.897454
H 2.887006 3.205487 0.762007
H 5.692887 1.072353 -1.785238
H 5.089306 3.108874 -0.442499
H -3.916657 3.371963 -1.010355


