%chk=000269246.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269246

0 1
O 2.796619 -0.146666 0.165219
O -2.895556 -0.054289 -0.036742
O 1.364428 -1.517622 -0.979512
O -1.477421 -1.705691 0.666819
N 0.585387 0.229944 0.439587
N -0.674804 0.341454 -0.256396
C 0.971488 1.655500 0.833097
C -1.027461 1.825513 -0.185283
C -0.428400 2.224056 1.197493
C 1.310691 2.458302 -0.456575
C -0.060002 2.527375 -1.181418
C 1.557643 -0.576072 -0.251718
C -1.660981 -0.600632 0.221469
C 4.006881 -0.988056 -0.083326
C -4.124494 -0.904380 0.023698
C 4.229267 -1.065289 -1.586678
C 5.063540 -0.149941 0.633298
C 3.788036 -2.347316 0.562020
C -4.311067 -1.366459 1.461129
C -5.172479 0.115749 -0.416027
C -3.961692 -2.051824 -0.960484
H 1.749678 1.626098 1.610163
H -2.102602 1.998131 -0.352628
H -0.907396 1.734530 2.056485
H -0.430858 3.302514 1.392118
H 2.083385 1.955487 -1.060799
H 1.702968 3.456305 -0.213746
H -0.376899 3.561927 -1.375118
H -0.037255 2.008012 -2.154593
H 3.404046 -1.605859 -2.081090
H 5.156653 -1.592820 -1.830642
H 4.275819 -0.070924 -2.043223
H 4.828544 -0.042151 1.699825
H 5.120372 0.862814 0.216411
H 6.054247 -0.608169 0.549368
H 3.477527 -2.253189 1.609890
H 4.693042 -2.961534 0.532780
H 2.990896 -2.911380 0.048727
H -4.310776 -0.525066 2.162515
H -5.250031 -1.913661 1.590389
H -3.492990 -2.039484 1.769848
H -4.953089 0.502754 -1.419311
H -5.198569 0.978997 0.259831
H -6.172368 -0.329735 -0.436296
H -3.166684 -2.745889 -0.639050
H -4.882324 -2.634431 -1.061359
H -3.677758 -1.693335 -1.957565


%chk=000269246-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269246

0 1
O 2.799359 -0.160453 0.284508
O -2.913937 -0.023354 -0.130700
O 1.193326 -1.333910 -1.016301
O -1.319926 -1.499278 0.825611
N 0.627205 0.476381 0.387985
N -0.714956 0.564350 -0.152992
C 1.009298 1.871690 0.824417
C -1.022589 2.034006 -0.144520
C -0.376950 2.437418 1.219322
C 1.325655 2.682625 -0.470710
C -0.083944 2.727786 -1.175947
C 1.511590 -0.428485 -0.210991
C -1.629193 -0.426343 0.260303
C 3.950396 -1.090954 -0.076516
C -4.081592 -0.995151 0.003943
C 4.196841 -1.034603 -1.598130
C 5.118151 -0.466347 0.707051
C 3.634653 -2.515710 0.420309
C -4.313206 -1.317351 1.493911
C -5.242387 -0.173430 -0.583459
C -3.795204 -2.253716 -0.838341
H 1.795799 1.834577 1.586660
H -2.097902 2.190247 -0.280106
H -0.836192 1.931719 2.083777
H -0.347068 3.526968 1.382050
H 2.097173 2.180462 -1.076541
H 1.696200 3.692023 -0.214924
H -0.419709 3.763606 -1.358504
H -0.093508 2.185931 -2.135567
H 3.339259 -1.450337 -2.149788
H 5.099970 -1.621420 -1.848008
H 4.363675 0.008264 -1.923536
H 4.903279 -0.467116 1.789645
H 5.290036 0.575507 0.384691
H 6.041479 -1.046652 0.530447
H 3.397979 -2.503554 1.498930
H 4.518237 -3.162098 0.265819
H 2.780547 -2.944727 -0.126220
H -4.449906 -0.386850 2.073750
H -5.229416 -1.927132 1.599972
H -3.462473 -1.878445 1.910624
H -5.033147 0.097982 -1.632563
H -5.395309 0.754414 -0.004935
H -6.174684 -0.765223 -0.551506
H -2.942552 -2.817775 -0.429180
H -4.687149 -2.906942 -0.838190
H -3.570009 -1.975003 -1.882950


