%chk=000246333.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246333

0 1
O -2.191456 -2.310021 0.560674
O -6.432055 -0.641445 -0.471111
O 6.000489 1.917284 0.885987
O 7.576424 -0.327873 -0.176255
O -8.485339 -0.018942 -0.937199
N -0.219875 -0.968017 0.301854
C -0.945767 0.316199 0.562564
C 1.252747 -0.860444 0.541881
C -2.417390 0.118230 0.319776
C -0.833874 -2.085740 1.054420
C 1.904756 -0.197402 -0.686646
C -2.953127 -1.206605 0.307061
C -3.264188 1.181918 0.068697
C 3.401764 -0.209124 -0.550563
C -4.639402 0.972456 -0.195495
C -4.295634 -1.463853 0.036317
C -5.124789 -0.359643 -0.215071
C 4.047673 0.826258 0.139468
C 4.151580 -1.262699 -1.097301
C -5.568867 2.040592 -0.458159
C 5.442289 0.812271 0.264183
C 5.543446 -1.274034 -0.988310
C 6.194217 -0.234054 -0.315603
C -6.869982 1.771508 -0.713607
C -7.386846 0.417527 -0.736633
C 6.905233 1.615889 1.984098
C 8.299834 0.661231 -0.961210
H -0.539880 1.072349 -0.150753
H -0.780443 0.714186 1.590011
H 1.503461 -0.291058 1.463180
H 1.680786 -1.880402 0.670951
H -0.347829 -3.052087 0.801513
H -0.933112 -1.939418 2.148776
H 1.530548 0.838222 -0.815607
H 1.581091 -0.729012 -1.608647
H -2.879820 2.203561 0.067359
H -4.691858 -2.478117 0.015298
H 3.488230 1.649680 0.579431
H 3.647885 -2.074102 -1.620748
H -5.194054 3.067563 -0.445068
H 6.136449 -2.080363 -1.419703
H -7.605823 2.550913 -0.917846
H 7.349941 2.594997 2.191450
H 7.663021 0.881642 1.685694
H 6.318866 1.255269 2.833435
H 9.338600 0.474581 -0.669077
H 7.978210 1.672855 -0.691430
H 8.145572 0.465374 -2.025641


%chk=000246333-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246333

0 1
O -2.173489 -2.348049 0.625397
O -6.462569 -0.657769 -0.636293
O 6.113679 1.869195 0.853572
O 7.661635 -0.302817 -0.373424
O -8.581288 0.051459 -1.221858
N -0.214464 -0.931067 0.562745
C -0.953032 0.336685 0.716953
C 1.257421 -0.860168 0.622120
C -2.428982 0.107499 0.406297
C -0.867040 -2.013962 1.265779
C 1.879707 -0.252211 -0.667378
C -2.954805 -1.224948 0.338983
C -3.297853 1.175501 0.140362
C 3.399344 -0.244743 -0.602140
C -4.660678 0.968697 -0.207256
C -4.296960 -1.470399 -0.021169
C -5.136414 -0.378468 -0.290150
C 4.088882 0.791735 0.075332
C 4.157222 -1.303943 -1.164651
C -5.592616 2.033273 -0.494579
C 5.495383 0.787822 0.181869
C 5.566710 -1.304941 -1.084919
C 6.247790 -0.256026 -0.431656
C -6.902446 1.767972 -0.835542
C -7.424575 0.406592 -0.927267
C 6.913484 1.487220 2.041705
C 8.342406 0.812216 -1.074213
H -0.545173 1.080471 0.009892
H -0.830955 0.765212 1.746117
H 1.611289 -0.272267 1.503501
H 1.648780 -1.887120 0.747230
H -0.272303 -2.936726 1.205946
H -1.111158 -1.779947 2.331418
H 1.503921 0.779742 -0.803300
H 1.522836 -0.846262 -1.527562
H -2.916860 2.204108 0.183440
H -4.675636 -2.493364 -0.076927
H 3.545594 1.625227 0.535842
H 3.643265 -2.119676 -1.686708
H -5.242922 3.071181 -0.438317
H 6.163810 -2.102647 -1.538557
H -7.619062 2.563001 -1.055420
H 7.365388 2.423534 2.402750
H 7.695491 0.754349 1.774329
H 6.253319 1.062301 2.821624
H 9.417578 0.654144 -0.900063
H 8.022683 1.789442 -0.669258
H 8.125366 0.767043 -2.158197


