%chk=000269818.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269818

0 1
O -1.510064 1.490077 -0.598204
O 1.488086 -2.934236 -0.286851
N -2.821476 -0.924742 -0.200725
N 2.780347 -0.700124 -0.435735
C -5.189323 -0.206345 -0.109320
C 5.169134 -0.121023 -0.180365
C -6.134861 1.000144 -0.188041
C 6.201195 1.011522 -0.256184
C -3.733930 0.246654 -0.278185
C 3.764728 0.404618 -0.512691
C -7.598941 0.572897 -0.021820
C 7.610615 0.501200 0.072081
C -1.461844 -0.863569 -0.301272
C 1.422058 -0.576870 -0.438887
C -0.692165 -2.010097 -0.234852
C 0.657266 0.561459 -0.537448
C -8.545677 1.779060 -0.100438
C 8.647030 1.631451 -0.001676
C -0.790631 0.508245 -0.493526
C 0.743395 -1.963602 -0.314447
C -1.291959 -3.372314 -0.076896
C 1.217184 1.938573 -0.713187
C -10.005137 1.361824 0.064152
C 10.051610 1.129215 0.323935
H -5.459833 -0.943219 -0.891483
H -5.324526 -0.723090 0.861628
H 5.179717 -0.572860 0.832344
H 5.453243 -0.934446 -0.878045
H -6.002228 1.521958 -1.156569
H -5.867840 1.741329 0.591221
H 5.924634 1.824153 0.444053
H 6.192923 1.465389 -1.266674
H -3.450549 0.992340 0.504753
H -3.585056 0.771612 -1.253779
H 3.476544 1.214751 0.199985
H 3.746150 0.847328 -1.535982
H -7.735435 0.053318 0.946176
H -7.869766 -0.165947 -0.800517
H 7.892565 -0.310919 -0.625759
H 7.624153 0.046612 1.081666
H -3.263006 -1.833197 -0.076431
H 3.166015 -1.655840 -0.387911
H -8.278654 2.519424 0.679212
H -8.413083 2.299937 -1.069155
H 8.638233 2.086221 -1.011743
H 8.369735 2.443970 0.698376
H -1.964498 -3.621512 -0.906987
H 1.902994 2.208579 0.099691
H -0.505119 -4.148301 -0.068896
H 1.735932 2.041598 -1.673967
H -1.835957 -3.471479 0.870564
H 0.413198 2.696665 -0.710393
H -10.673075 2.228884 0.006649
H -10.180930 0.877198 1.031282
H -10.315295 0.657808 -0.716411
H 10.785076 1.941741 0.269211
H 10.374837 0.349246 -0.374998
H 10.106459 0.706628 1.333771


%chk=000269818-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269818

0 1
O -1.523329 1.914496 -0.430307
O 1.529382 -2.625603 -0.095871
N -2.805067 -0.564769 -0.123950
N 2.788589 -0.381656 -0.345717
C -5.233195 -0.129026 -0.094868
C 5.230220 -0.065213 -0.163147
C -6.351515 0.928110 -0.229897
C 6.412260 0.919534 -0.300452
C -3.830758 0.499627 -0.217298
C 3.876805 0.595266 -0.496608
C -7.770422 0.331539 -0.095509
C 7.781132 0.262379 -0.013377
C -1.434761 -0.492160 -0.184722
C 1.431203 -0.219750 -0.318766
C -0.675485 -1.670872 -0.093744
C 0.678056 0.958014 -0.409665
C -8.889272 1.387605 -0.245797
C 8.965589 1.249012 -0.129033
C -0.772094 0.869760 -0.348852
C 0.756714 -1.591036 -0.160871
C -1.321007 -3.031519 0.069474
C 1.251736 2.358480 -0.565341
C -10.305209 0.788009 -0.107051
C 10.331559 0.582704 0.142907
H -5.366540 -0.902461 -0.880712
H -5.330130 -0.641550 0.885160
H 5.195849 -0.466510 0.869538
H 5.392092 -0.930676 -0.838465
H -6.258659 1.435606 -1.212118
H -6.209759 1.713447 0.540836
H 6.263948 1.773118 0.393209
H 6.420716 1.346770 -1.325035
H -3.664146 1.253179 0.572862
H -3.723781 1.040329 -1.175078
H 3.707730 1.458140 0.171654
H 3.907350 0.984651 -1.535365
H -7.869654 -0.166849 0.891567
H -7.911971 -0.460854 -0.860187
H 7.938434 -0.581441 -0.717080
H 7.771812 -0.179275 1.004940
H -3.182835 -1.509680 -0.009993
H 3.041113 -1.385341 -0.273359
H -8.745941 2.180852 0.516077
H -8.791052 1.883795 -1.232856
H 8.967894 1.698551 -1.143171
H 8.812811 2.086507 0.581978
H -1.986919 -3.287108 -0.780801
H 1.709019 2.730333 0.371516
H -0.531050 -3.797615 0.116154
H 2.008724 2.420916 -1.365209
H -1.916990 -3.105722 1.002778
H 0.425692 3.043730 -0.815318
H -11.085734 1.563184 -0.216205
H -10.438629 0.311246 0.882513
H -10.486405 0.015363 -0.878043
H 11.160818 1.308409 0.055033
H 10.522354 -0.237118 -0.575070
H 10.366906 0.151033 1.161015


