%chk=000287781.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287781

0 1
O -1.115801 3.256689 1.178073
O -5.555530 -2.073891 -0.159905
N 0.028447 0.934944 -0.000311
N 2.777882 0.005059 -0.135259
C 0.410512 -0.277967 -0.802696
C 1.178057 1.899577 0.008369
C 1.632579 -0.956629 -0.154393
C 2.410196 1.227248 0.645165
C -1.219883 1.551888 -0.570723
C -2.364604 0.568317 -0.424823
C 4.085246 -0.527168 0.044888
C -1.643676 2.838343 0.177228
C -3.158275 0.239083 -1.538376
C -2.637517 -0.010785 0.822441
C 5.147008 0.304348 0.474624
C 4.374810 -1.863047 -0.322153
C -2.794705 3.561139 -0.467189
C -4.218933 -0.649277 -1.409972
C -3.697476 -0.907721 0.976391
C 6.448462 -0.189924 0.523168
C 5.683707 -2.337083 -0.266226
C -4.479212 -1.216318 -0.143925
C 6.728614 -1.510418 0.157775
C -5.923587 -2.722921 1.081526
H 0.633639 -0.038814 -1.865302
H -0.442308 -0.992441 -0.794753
H 0.896751 2.774307 0.643192
H 1.434440 2.278605 -1.003451
H 1.374856 -1.303782 0.871676
H 1.908940 -1.855245 -0.751477
H 3.260549 1.946468 0.633711
H 2.196085 0.981027 1.710179
H -1.083008 1.827450 -1.652163
H -2.944274 0.679397 -2.512222
H -2.003954 0.240516 1.679415
H 4.955222 1.337731 0.755980
H 3.580197 -2.522697 -0.663878
H -2.547297 3.924099 -1.471241
H -3.680598 2.915932 -0.560437
H -3.093287 4.435148 0.131573
H -4.847041 -0.918484 -2.255895
H -3.896111 -1.346858 1.948243
H 7.256948 0.462648 0.852382
H 5.892833 -3.366731 -0.555756
H 7.744828 -1.888389 0.201656
H -5.107425 -3.359843 1.434186
H -6.787038 -3.325961 0.770778
H -6.213966 -1.978468 1.828307


%chk=000287781-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000287781

0 1
O -1.293045 3.024891 1.354016
O -5.679186 -2.144818 -0.044963
N 0.026934 0.938008 -0.107604
N 2.773218 -0.012749 -0.095200
C 0.404527 -0.310709 -0.815035
C 1.166228 1.887743 -0.152685
C 1.628201 -0.950717 -0.142952
C 2.415476 1.283233 0.513124
C -1.245425 1.509702 -0.601227
C -2.409752 0.521407 -0.445658
C 4.092667 -0.512543 0.041536
C -1.671590 2.788923 0.179005
C -3.251175 0.188587 -1.537467
C -2.675310 -0.053555 0.820169
C 5.083168 0.180506 0.804261
C 4.493539 -1.716205 -0.618705
C -2.607281 3.726526 -0.571180
C -4.329564 -0.700348 -1.373658
C -3.750559 -0.949287 1.001696
C 6.407307 -0.301515 0.883493
C 5.815594 -2.191390 -0.523634
C -4.583202 -1.272072 -0.101087
C 6.791317 -1.490342 0.224760
C -5.989826 -2.763423 1.246797
H 0.637925 -0.111978 -1.892589
H -0.439039 -1.020406 -0.771665
H 0.896867 2.803945 0.396183
H 1.418757 2.160065 -1.209902
H 1.342145 -1.258913 0.888927
H 1.905180 -1.857952 -0.701182
H 3.249289 1.992106 0.370468
H 2.227081 1.181684 1.606709
H -1.183298 1.799361 -1.684863
H -3.053175 0.616431 -2.528161
H -2.020900 0.202842 1.660520
H 4.821804 1.085319 1.360280
H 3.779460 -2.271414 -1.235108
H -2.020026 4.333161 -1.289130
H -3.359946 3.165474 -1.152299
H -3.107071 4.408061 0.134676
H -4.981288 -0.971676 -2.209587
H -3.931177 -1.379272 1.991412
H 7.139983 0.254863 1.480257
H 6.088183 -3.113951 -1.049972
H 7.818617 -1.862881 0.293126
H -5.149772 -3.388770 1.606565
H -6.868407 -3.396919 1.056598
H -6.238150 -1.999931 2.009336


