%chk=000211961.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211961

0 1
O 0.181330 0.586054 -1.728968
O 0.794867 1.049976 2.501343
O 5.784764 1.087329 2.852662
O 4.881288 0.174362 -1.814508
O 6.750762 0.505737 0.181750
N -4.059571 -0.420587 0.101842
N -1.202102 -0.121988 -0.072030
C -3.370586 -0.558473 -1.225761
C -3.349331 0.563877 0.982226
C -1.922790 -1.038886 -1.000349
C -1.911099 0.059565 1.219993
C -5.475405 -0.115173 -0.072524
C -0.241710 0.742633 -0.587918
C -6.383170 -1.200668 -0.034065
C 0.331960 1.821623 0.310007
C -5.951569 1.194455 -0.249042
C -7.754998 -0.936268 -0.168565
C -5.916791 -2.608956 0.134609
C -7.320807 1.435443 -0.375193
C 1.239574 1.260213 1.394320
C -8.222856 0.368941 -0.335282
C 2.674997 1.029331 1.038202
C 3.048963 0.710649 -0.275199
C 3.623436 1.133487 2.050368
C 4.989098 0.921231 1.751525
C 4.397740 0.498967 -0.569294
C 5.394732 0.601047 0.440519
C 7.215153 0.879770 2.714684
C 3.917865 0.027643 -2.892347
C 7.162442 -0.699528 -0.520525
H -3.375831 0.385251 -1.812642
H -3.924130 -1.315481 -1.823758
H -3.893328 0.609518 1.952012
H -3.330815 1.594210 0.568220
H -1.378536 -1.095931 -1.972268
H -1.917176 -2.057294 -0.549970
H -1.356313 0.744936 1.899828
H -1.935697 -0.931712 1.734779
H -0.476644 2.422464 0.777417
H 0.894206 2.541070 -0.330292
H -5.254413 2.029184 -0.290400
H -8.464997 -1.761801 -0.139518
H -5.689891 -3.066524 -0.838194
H -6.661718 -3.240219 0.633992
H -4.991574 -2.659419 0.733302
H -7.683100 2.453003 -0.507133
H -9.290918 0.553988 -0.434200
H 2.292653 0.627860 -1.060687
H 3.335751 1.361387 3.079138
H 7.623078 1.554643 1.952542
H 7.417133 -0.163803 2.459471
H 7.571781 1.133509 3.719404
H 3.218857 -0.785111 -2.672079
H 3.392530 0.972794 -3.063881
H 4.570060 -0.221677 -3.737800
H 8.252740 -0.599361 -0.515982
H 6.832706 -1.588251 0.020434
H 6.767399 -0.684942 -1.544611


%chk=000211961-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211961

0 1
O 0.369268 0.672777 -2.098845
O 0.814170 2.366763 2.056876
O 5.523327 0.855854 2.966665
O 4.975945 0.129980 -1.862362
O 6.621502 0.035366 0.411276
N -4.005544 -0.068192 0.047327
N -1.230476 0.516836 -0.417028
C -3.362518 -0.430656 -1.243608
C -3.392615 1.144396 0.629850
C -1.853449 -0.668992 -1.048250
C -1.881386 0.917380 0.850274
C -5.431326 -0.214503 0.140465
C -0.142978 1.123825 -1.018696
C -6.019807 -1.521915 0.094752
C 0.445590 2.382536 -0.345515
C -6.271266 0.918824 0.331582
C -7.427542 -1.631577 0.201913
C -5.172812 -2.779398 0.007193
C -7.669711 0.779476 0.451971
C 1.296666 2.097586 0.913390
C -8.258308 -0.501405 0.373768
C 2.662664 1.527714 0.745173
C 3.133617 1.095508 -0.524850
C 3.492377 1.407990 1.883461
C 4.790769 0.866721 1.774585
C 4.426365 0.553731 -0.641320
C 5.282189 0.434794 0.502407
C 6.543317 -0.178454 3.217888
C 4.151635 0.313131 -3.066903
C 6.932089 -1.257964 -0.239926
H -3.509218 0.382035 -1.993957
H -3.827419 -1.342740 -1.647883
H -3.867418 1.354846 1.603946
H -3.528749 2.040296 -0.024680
H -1.347992 -0.844163 -2.011340
H -1.701230 -1.548684 -0.391634
H -1.407557 1.815907 1.272160
H -1.748605 0.099624 1.586352
H -0.352197 3.080636 -0.044023
H 1.060153 2.869889 -1.119113
H -5.831368 1.920751 0.371336
H -7.876414 -2.632610 0.177462
H -4.976285 -3.089404 -1.038657
H -5.683396 -3.624676 0.500547
H -4.194730 -2.622133 0.496799
H -8.294280 1.668475 0.595828
H -9.343339 -0.622416 0.462105
H 2.480820 1.155745 -1.399730
H 3.126918 1.727229 2.863027
H 7.463583 0.024290 2.648950
H 6.160840 -1.185337 2.961341
H 6.730558 -0.117609 4.301563
H 3.198145 -0.242050 -2.993633
H 3.939712 1.385137 -3.238805
H 4.762193 -0.085248 -3.890332
H 8.025885 -1.354034 -0.165365
H 6.440481 -2.087032 0.305758
H 6.609157 -1.250758 -1.291930


