%chk=000262057.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262057

0 1
O -2.391312 -1.250701 -0.360042
O 2.394568 -1.219018 -0.096018
O -2.409136 -0.416373 1.758351
O 3.752242 -2.811247 0.823768
O -8.627631 2.310689 -0.054559
O 8.666445 2.204803 0.513594
O -8.283590 1.677165 -2.095752
O 7.368399 3.355077 -0.782045
N -7.966182 1.768858 -0.922724
N 7.623784 2.384696 -0.090507
C 0.102713 0.306608 -0.024541
C 0.045617 -1.187877 -0.110061
C -0.367948 0.969592 -1.328567
C -1.155087 -1.907151 -0.198888
C 1.215900 -1.979920 -0.102020
C -0.362947 2.490667 -1.217386
C -1.222402 -3.305304 -0.256413
C 1.200996 -3.374168 -0.161177
C -0.031903 -4.031870 -0.237505
C -2.942838 -0.519498 0.685390
C 3.608035 -1.703116 0.381053
C -4.240885 0.058403 0.233997
C 4.624337 -0.620782 0.241098
C -5.039065 0.696308 1.197174
C -4.653573 -0.023585 -1.103383
C 5.843791 -0.782305 0.918092
C 4.380564 0.515080 -0.544062
C -6.663950 1.170583 -0.517777
C 6.575375 1.333109 0.025498
C -6.260519 1.257305 0.821928
C -5.874394 0.536051 -1.486030
C 6.828616 0.200928 0.812172
C 5.362201 1.501870 -0.655243
H -0.516019 0.651220 0.834239
H 1.135561 0.639178 0.215481
H 0.282659 0.647443 -2.165429
H -1.385362 0.610049 -1.584914
H -1.027133 2.843031 -0.419506
H 0.638404 2.880390 -1.001476
H -0.699017 2.956691 -2.151238
H -2.189969 -3.800018 -0.318106
H 2.131535 -3.946306 -0.132435
H -0.058757 -5.121901 -0.279687
H -4.699070 0.751938 2.237455
H -4.018970 -0.527745 -1.840892
H 6.018377 -1.679038 1.523136
H 3.422371 0.624409 -1.064767
H -6.900389 1.760022 1.557081
H -6.217479 0.483616 -2.526162
H 7.788517 0.096507 1.332299
H 5.194324 2.398441 -1.263791


%chk=000262057-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000262057

0 1
O -2.469419 -1.195223 -0.393669
O 2.339560 -1.189468 0.029334
O -2.890355 -1.014094 1.907527
O 3.911951 -2.827173 0.667788
O -8.863603 2.347383 0.195667
O 8.815401 2.216826 0.302438
O -8.355601 2.096172 -2.014170
O 7.235918 3.690689 -0.431149
N -8.101140 1.935680 -0.759755
N 7.606466 2.522521 -0.027611
C 0.008278 0.317906 -0.183511
C -0.035410 -1.196279 -0.100107
C 0.221818 0.831923 -1.636246
C -1.246058 -1.920529 -0.170665
C 1.147467 -1.979490 0.018446
C 0.289259 2.371971 -1.701234
C -1.314473 -3.324380 -0.113903
C 1.129444 -3.391168 0.082854
C -0.115806 -4.054033 0.016834
C -3.234359 -0.798503 0.727858
C 3.627811 -1.653125 0.342478
C -4.483545 -0.096689 0.300278
C 4.621211 -0.539659 0.232796
C -5.352774 0.377775 1.317348
C -4.808415 0.098510 -1.067590
C 5.966878 -0.829290 0.581291
C 4.262835 0.763074 -0.203558
C -6.843248 1.228416 -0.390185
C 6.570172 1.457333 0.063249
C -6.542600 1.045809 0.977540
C -5.996452 0.765644 -1.420804
C 6.952515 0.170168 0.500269
C 5.240295 1.771255 -0.292183
H -0.933261 0.742649 0.207873
H 0.824787 0.697200 0.456669
H 1.154020 0.393777 -2.043206
H -0.604471 0.463234 -2.274128
H -0.645728 2.829293 -1.326958
H 1.120697 2.764122 -1.084193
H 0.444468 2.722038 -2.737638
H -2.285245 -3.824688 -0.172176
H 2.057035 -3.952082 0.192781
H -0.144632 -5.146770 0.066913
H -5.077764 0.212765 2.363676
H -4.130083 -0.275865 -1.837888
H 6.217113 -1.841698 0.912556
H 3.225585 0.973199 -0.473562
H -7.232482 1.423004 1.736431
H -6.277573 0.932180 -2.463631
H 7.995291 -0.022592 0.764046
H 4.998024 2.783087 -0.626515


