%chk=000298417.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298417

0 1
O 5.604057 -0.192249 -0.383657
O 6.167730 1.136250 1.386593
N -0.000583 -0.027069 -0.211016
C -0.694713 0.875769 0.758012
C -2.108095 1.181941 0.236850
C -0.711027 -1.333417 -0.406217
C -2.857766 -0.088517 -0.050096
C -2.206259 -1.223475 -0.337800
C 1.421002 -0.091540 -0.140890
C -4.335116 -0.010434 -0.006477
C 2.122512 -1.160761 -0.753240
C 2.164305 0.970096 0.429345
C -5.051595 -0.761442 0.938399
C -5.024360 0.817054 -0.906837
C 3.513073 -1.167083 -0.792035
C 3.556076 0.976445 0.390423
C 4.211196 -0.095564 -0.219489
C -6.446057 -0.681730 0.981603
C -6.418862 0.889472 -0.860505
C -7.131426 0.142423 0.083356
C 6.502642 0.435381 0.467081
C 7.871439 0.072359 0.005203
H -0.120447 1.826541 0.851391
H -0.749350 0.422335 1.772285
H -2.045114 1.781562 -0.697871
H -2.650004 1.809131 0.971736
H -0.370195 -2.097058 0.333640
H -0.429981 -1.704491 -1.424228
H -2.732965 -2.152419 -0.554626
H 1.585803 -1.985064 -1.217123
H 1.649263 1.809188 0.898432
H -4.518722 -1.402697 1.638256
H -4.471797 1.395629 -1.645084
H 4.060706 -1.982204 -1.262107
H 4.121410 1.795692 0.840718
H -6.999589 -1.263738 1.716702
H -6.951820 1.529202 -1.562177
H -8.217378 0.202069 0.118059
H 7.859619 -0.557768 -0.899432
H 8.412316 -0.479171 0.790677
H 8.457674 0.976852 -0.222253


%chk=000298417-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298417

0 1
O 5.698954 -0.358344 -0.178412
O 6.416755 1.717339 0.674017
N 0.010732 -0.073487 -0.027556
C -0.727733 1.063578 0.550078
C -2.126706 1.229960 -0.076837
C -0.713615 -1.344747 -0.214765
C -2.914821 -0.072577 -0.049978
C -2.214741 -1.241497 -0.104555
C 1.418612 -0.104337 -0.020674
C -4.402254 -0.026161 0.005080
C 2.128085 -1.256419 -0.493414
C 2.206775 0.994805 0.442024
C -5.166842 -1.108777 0.528517
C -5.107240 1.117054 -0.467192
C 3.532273 -1.283300 -0.525048
C 3.615822 0.974063 0.410231
C 4.279779 -0.172880 -0.081121
C -6.575047 -1.058526 0.558298
C -6.517849 1.168989 -0.437904
C -7.260839 0.080698 0.072701
C 6.665926 0.587398 0.199786
C 8.043193 0.012769 -0.059228
H -0.156467 1.987774 0.362409
H -0.832731 0.953332 1.653192
H -2.017819 1.587057 -1.120838
H -2.662123 2.021244 0.481025
H -0.349000 -2.109650 0.511823
H -0.476199 -1.754918 -1.222131
H -2.737291 -2.205836 -0.136822
H 1.589759 -2.137939 -0.849228
H 1.731075 1.888338 0.854020
H -4.651862 -1.983446 0.941798
H -4.551394 1.965997 -0.880345
H 4.063266 -2.166339 -0.894235
H 4.184800 1.831741 0.770145
H -7.139731 -1.901445 0.972749
H -7.036196 2.057601 -0.815538
H -8.355259 0.121348 0.100688
H 8.152105 -0.253120 -1.124864
H 8.186030 -0.911727 0.526851
H 8.807424 0.751887 0.220853


