%chk=000211458.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211458

0 1
O 3.038792 2.330234 -1.107892
O -3.919794 2.038040 0.137575
O -4.945694 -0.566313 1.030077
N 1.173021 -1.262255 -0.877257
N 5.977523 -0.092746 3.008477
C 0.335773 -0.028420 -1.078777
C 3.315649 -0.039225 -1.126202
C 2.423275 -1.162754 -1.693087
C 1.105519 1.129364 -0.409527
C 0.407937 -2.512806 -1.167227
C -1.057666 -0.172486 -0.493208
C 2.521152 1.252192 -0.914342
C -0.686964 -2.640151 -0.097139
C -1.547080 -1.411213 -0.038396
C 3.952873 -0.454377 0.211605
C -1.889762 0.956594 -0.459295
C -2.840057 -1.506308 0.497455
C 5.023091 0.549239 0.668259
C -3.182379 0.861188 0.060151
C -3.655315 -0.373533 0.560025
C 5.553613 0.191482 1.971544
C -5.106413 2.037239 -0.704583
C -5.301427 0.265248 2.170019
H 0.209944 0.207260 -2.173672
H 4.127353 0.170251 -1.869197
H 2.229862 -0.974200 -2.772260
H 2.965956 -2.132043 -1.634805
H 1.136952 0.962637 0.692152
H 0.568180 2.090558 -0.543885
H 1.100836 -3.379235 -1.100071
H -0.040773 -2.529951 -2.183714
H -0.215176 -2.790043 0.901251
H -1.294202 -3.546455 -0.289543
H 3.161542 -0.567688 0.984014
H 4.402374 -1.463011 0.111120
H -1.548631 1.923452 -0.831459
H -3.226594 -2.453944 0.871048
H 4.604489 1.587093 0.698931
H 5.852135 0.601604 -0.076916
H -5.744398 1.177613 -0.470923
H -4.804382 2.034458 -1.755123
H -5.585049 2.983346 -0.430352
H -5.101392 1.323090 1.963095
H -4.745574 -0.078870 3.046557
H -6.373519 0.067743 2.273797


%chk=000211458-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211458

0 1
O 3.089087 2.367431 -1.329410
O -3.981590 2.061120 0.047177
O -4.957715 -0.494897 1.113566
N 1.179957 -1.261382 -0.968695
N 5.991660 -0.279138 3.111541
C 0.368392 -0.025789 -1.113335
C 3.358412 -0.055719 -1.152627
C 2.435627 -1.158959 -1.739693
C 1.161545 1.149131 -0.460461
C 0.415830 -2.505656 -1.213933
C -1.034102 -0.167170 -0.515249
C 2.578625 1.257789 -1.013674
C -0.653580 -2.660425 -0.120510
C -1.521626 -1.413995 -0.038095
C 3.945784 -0.498580 0.220034
C -1.888127 0.962661 -0.486439
C -2.826178 -1.481999 0.507782
C 4.887188 0.572403 0.839155
C -3.192241 0.886222 0.035688
C -3.657907 -0.348418 0.574589
C 5.501639 0.110633 2.095385
C -5.210492 1.983658 -0.778152
C -5.221570 0.327145 2.318983
H 0.247990 0.224150 -2.203457
H 4.194759 0.132601 -1.853954
H 2.242399 -0.932644 -2.819755
H 2.958843 -2.132291 -1.695242
H 1.212367 0.948435 0.628101
H 0.656434 2.117829 -0.607603
H 1.122190 -3.355000 -1.179569
H -0.067539 -2.511076 -2.223046
H -0.143170 -2.833601 0.847083
H -1.281331 -3.548309 -0.324596
H 3.122405 -0.737923 0.915407
H 4.517998 -1.432853 0.063968
H -1.566834 1.929975 -0.887768
H -3.217950 -2.428318 0.897420
H 4.337066 1.511661 1.036723
H 5.690564 0.831804 0.122861
H -5.850815 1.142129 -0.457452
H -4.943154 1.865633 -1.845532
H -5.726701 2.943589 -0.625341
H -5.062029 1.400098 2.109430
H -4.563047 0.005199 3.147791
H -6.273464 0.134745 2.579204


