%chk=000299827.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299827

0 1
O -0.164866 4.610431 -0.181816
O 2.727255 -0.533162 2.063320
O 4.832482 -0.591863 0.020369
N -1.293701 1.109059 -0.691600
C -0.650265 -0.026088 -1.432390
C -2.783666 1.093509 -0.877054
C -0.723148 2.431670 -1.097832
C 0.797003 -0.164561 -1.023746
C -3.394887 -0.113608 -0.205082
C -0.716427 3.329434 0.153404
C 1.136673 -0.232844 0.334817
C 1.798892 -0.239758 -2.003698
C 2.475822 -0.390038 0.705408
C -3.032542 -0.456968 1.106390
C -4.353968 -0.879094 -0.884178
C 3.135988 -0.414012 -1.639034
C 3.478373 -0.496333 -0.285052
C -3.624904 -1.556908 1.730607
C -4.947108 -1.976451 -0.252664
C -4.584345 -2.317692 1.053578
C 3.649303 0.449400 2.610489
C 5.194871 -1.843573 0.667612
H -1.186881 -0.966649 -1.149306
H -0.748913 0.065997 -2.535880
H -3.198303 2.010572 -0.392351
H -3.084877 1.147066 -1.946857
H 0.318712 2.309274 -1.466770
H -1.275852 2.931715 -1.920593
H -1.734705 3.581044 0.501434
H -0.144259 2.876422 0.981504
H 0.365907 -0.156060 1.104233
H 1.539529 -0.173178 -3.058611
H -2.278714 0.134681 1.627435
H -4.642392 -0.623172 -1.901183
H 3.920735 -0.486253 -2.390975
H -3.338743 -1.822342 2.747115
H -5.693249 -2.566758 -0.781632
H -5.046212 -3.172599 1.542598
H 0.786328 4.532933 -0.387679
H 3.157784 1.425733 2.628930
H 4.578485 0.482640 2.029733
H 3.818161 0.068985 3.623369
H 6.250101 -1.682287 0.910741
H 4.590344 -2.000751 1.568063
H 5.070878 -2.665865 -0.041967


%chk=000299827-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299827

0 1
O -0.417296 4.740327 0.078926
O 2.840680 -0.305736 2.045542
O 4.895161 -0.854041 0.032925
N -1.293231 1.133292 -0.752917
C -0.598345 0.079625 -1.533102
C -2.768753 1.066857 -0.892819
C -0.759112 2.500201 -0.970959
C 0.852812 -0.120984 -1.111210
C -3.391685 -0.165367 -0.242368
C -0.825639 3.346662 0.318099
C 1.214559 -0.100199 0.258063
C 1.859946 -0.362134 -2.077842
C 2.545707 -0.326051 0.659624
C -2.941530 -0.624811 1.021451
C -4.467565 -0.839629 -0.870609
C 3.191919 -0.617901 -1.682231
C 3.543664 -0.618514 -0.316476
C -3.556162 -1.732944 1.644082
C -5.088907 -1.946777 -0.247841
C -4.634560 -2.397292 1.012673
C 3.785069 0.758424 2.457177
C 5.116740 -2.068159 0.853621
H -1.159259 -0.861014 -1.367421
H -0.635933 0.280709 -2.633541
H -3.183102 1.973842 -0.411402
H -3.084410 1.112943 -1.966153
H 0.299425 2.413788 -1.282303
H -1.295148 3.042170 -1.785657
H -1.860723 3.428078 0.689273
H -0.208251 2.868029 1.105859
H 0.458285 0.113197 1.019691
H 1.601874 -0.361691 -3.143604
H -2.101050 -0.108663 1.498729
H -4.819658 -0.498203 -1.852537
H 3.977164 -0.823506 -2.416968
H -3.196362 -2.078862 2.619939
H -5.919910 -2.458741 -0.746493
H -5.111945 -3.257436 1.495642
H 0.531444 4.751730 -0.205734
H 3.335786 1.754324 2.278679
H 4.740708 0.675616 1.908395
H 3.943847 0.608801 3.536030
H 6.195522 -2.080959 1.071893
H 4.530794 -2.026261 1.789428
H 4.838129 -2.971044 0.277647


