%chk=000256862.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256862

0 1
O -1.942214 -1.213567 -1.535420
O -1.136475 1.949891 1.084227
O 5.617514 -0.984169 -0.108867
O 5.523263 0.604028 1.356103
N -1.376981 -2.357894 0.368696
N -0.655375 -0.050055 0.009174
N -2.429963 1.374600 -0.763165
N 5.005978 -0.169088 0.565554
C 0.097764 -4.805316 0.982431
C 0.536159 -3.449724 1.551024
C -0.642184 -4.633893 -0.350499
C -0.650949 -2.481312 1.662720
C -1.823212 -3.662973 -0.211883
C -1.332314 -1.263024 -0.474765
C 0.768256 -0.053297 0.155697
C -1.419299 1.192507 0.179267
C 1.529534 -0.949552 -0.631645
C 1.410171 0.813891 1.064397
C 2.911703 -0.981637 -0.498418
C 2.792721 0.781527 1.191042
C 3.543460 -0.123478 0.418672
C -3.387096 2.446218 -0.733599
C -4.388236 2.421552 -1.727390
C -3.345961 3.478393 0.216163
C -5.340563 3.439592 -1.757662
C -4.312123 4.486331 0.166165
C -5.307993 4.473085 -0.814163
H 0.981591 -5.457320 0.841469
H -0.551544 -5.329338 1.710766
H 0.996371 -3.584470 2.549310
H 1.328999 -3.010792 0.912824
H 0.058416 -4.270566 -1.128108
H -1.011189 -5.613265 -0.712404
H -0.319718 -1.486666 2.031672
H -1.389170 -2.859995 2.409910
H -2.601584 -4.079043 0.467072
H -2.311522 -3.486464 -1.199653
H 1.046276 -1.596437 -1.365083
H 0.820889 1.519225 1.667511
H -2.541575 0.678079 -1.530220
H 3.518327 -1.664592 -1.105516
H 3.306417 1.450752 1.892608
H -4.423820 1.622242 -2.465007
H -2.569656 3.502443 0.986863
H -6.116087 3.427603 -2.523640
H -4.283076 5.290434 0.902179
H -6.055032 5.262934 -0.845311


%chk=000256862-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000256862

0 1
O -2.070513 -1.077985 -1.558493
O -0.901933 2.212921 0.894964
O 5.692531 -1.054586 -0.243295
O 5.614435 0.378631 1.531752
N -1.117736 -2.311288 0.169673
N -0.638343 0.035760 -0.013085
N -2.471320 1.408089 -0.663457
N 5.050174 -0.294049 0.583038
C -0.014742 -4.862162 1.096807
C 0.496508 -3.512614 1.653631
C -0.559896 -4.684383 -0.339753
C -0.599451 -2.428896 1.558039
C -1.640499 -3.582106 -0.398132
C -1.317187 -1.141897 -0.525899
C 0.789034 -0.017068 0.167446
C -1.343566 1.319047 0.120266
C 1.553288 -0.804601 -0.741067
C 1.450933 0.692945 1.207591
C 2.947103 -0.899997 -0.609742
C 2.849413 0.609069 1.335750
C 3.583551 -0.192724 0.435206
C -3.436548 2.456216 -0.673077
C -4.548590 2.282963 -1.542067
C -3.337465 3.630970 0.119025
C -5.550919 3.270042 -1.617361
C -4.353722 4.607777 0.034730
C -5.461445 4.440153 -0.826979
H 0.795460 -5.613946 1.110354
H -0.823047 -5.248207 1.751794
H 0.801864 -3.617216 2.711519
H 1.385923 -3.182673 1.084319
H 0.269400 -4.416946 -1.023348
H -0.998301 -5.629754 -0.710967
H -0.229344 -1.454073 1.903591
H -1.455369 -2.712783 2.207011
H -2.528659 -3.890917 0.192105
H -1.975390 -3.381416 -1.427345
H 1.051419 -1.317155 -1.567578
H 0.867554 1.314515 1.887109
H -2.608137 0.625046 -1.330019
H 3.549891 -1.489824 -1.304994
H 3.377425 1.145926 2.128127
H -4.624552 1.374998 -2.152991
H -2.476337 3.767515 0.775155
H -6.401865 3.124264 -2.291821
H -4.271763 5.512044 0.648339
H -6.240371 5.207777 -0.884775


