%chk=000188489.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188489

0 1
O 1.586261 2.917490 0.009340
O 1.121476 -2.647848 -0.392648
O 0.944882 -3.086577 1.838015
N 3.891380 1.115382 -0.176849
C 2.536985 0.772301 -0.131097
C 2.462035 -0.658625 -0.224159
C 0.107507 0.928682 -0.027152
C 0.022206 -0.506706 -0.097739
C 1.345768 1.554111 -0.022520
C 1.178557 -1.258283 -0.199102
C 3.795793 -1.155242 -0.323715
C 4.650850 -0.057817 -0.292410
C -1.157531 1.695709 0.016761
C -1.305496 -1.163253 -0.070005
C 4.448747 2.468726 -0.110847
C -1.939095 1.709990 1.183127
C -1.585217 2.398950 -1.121074
C -2.122720 -1.148566 -1.210566
C -1.745141 -1.801533 1.100128
C -3.133742 2.433261 1.211146
C -2.782198 3.118674 -1.084996
C -3.374454 -1.768773 -1.176123
C -2.998879 -2.416514 1.127188
C 0.760874 3.727132 0.887197
C -3.555748 3.140007 0.079995
C 0.998279 -3.493149 0.707009
C -3.814854 -2.401315 -0.008947
C 0.950997 -4.887917 0.189512
H 4.069736 -2.187335 -0.410553
H 5.725128 -0.037099 -0.343884
H 5.012414 2.618214 0.826993
H 5.121711 2.660553 -0.964604
H 3.635663 3.226553 -0.142669
H -1.618039 1.142277 2.055645
H -0.981659 2.378665 -2.027295
H -1.779648 -0.650596 -2.115854
H -1.099149 -1.822570 1.981087
H -3.741479 2.439922 2.114430
H -3.114807 3.660587 -1.968585
H -4.008700 -1.756312 -2.060393
H -3.340357 -2.907869 2.036366
H -0.132741 4.041425 0.336456
H 1.415044 4.579469 1.101224
H 0.496658 3.187991 1.800180
H -4.488378 3.699375 0.104362
H -4.791294 -2.879457 0.015543
H -0.048809 -5.323773 0.349853
H 1.678434 -5.525789 0.713988
H 1.162350 -4.942629 -0.891560


%chk=000188489-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188489

0 1
O 1.389806 2.982666 -0.186965
O 1.047864 -2.699319 -0.267291
O 1.391364 -3.066213 2.024841
N 3.795840 1.138568 -0.318868
C 2.441919 0.780455 -0.223421
C 2.375386 -0.655061 -0.208620
C -0.004103 0.926511 -0.102827
C -0.084939 -0.518141 -0.088078
C 1.263234 1.565404 -0.158610
C 1.105341 -1.270014 -0.133395
C 3.724753 -1.154460 -0.296137
C 4.557388 -0.039422 -0.357349
C -1.244639 1.768811 -0.062857
C -1.407614 -1.228087 -0.083029
C 4.365500 2.493714 -0.321325
C -2.203380 1.623141 0.975523
C -1.477186 2.746557 -1.067507
C -2.310519 -1.085260 -1.168371
C -1.773032 -2.068201 1.001538
C -3.362257 2.428961 1.007717
C -2.636862 3.551508 -1.037294
C -3.547136 -1.766396 -1.171340
C -3.011637 -2.747674 1.001294
C 1.124313 3.652340 1.104906
C -3.585372 3.396920 0.000942
C 1.222468 -3.515276 0.874892
C -3.903721 -2.601004 -0.086320
C 1.139581 -4.968134 0.466560
H 4.037700 -2.195417 -0.319648
H 5.642688 0.013636 -0.430877
H 4.584871 2.840569 0.706795
H 5.304003 2.492891 -0.901087
H 3.650054 3.190139 -0.780573
H -2.038657 0.875415 1.758527
H -0.741114 2.874167 -1.867505
H -2.038995 -0.438852 -2.010119
H -1.091260 -2.172382 1.853688
H -4.090543 2.298439 1.816114
H -2.800928 4.296747 -1.824147
H -4.231819 -1.644643 -2.018374
H -3.280601 -3.385596 1.851173
H 0.092261 3.457171 1.446285
H 1.256828 4.728254 0.912622
H 1.845292 3.308947 1.872655
H -4.486470 4.020344 0.023840
H -4.865261 -3.127024 -0.087357
H 0.105767 -5.199369 0.152840
H 1.417891 -5.610598 1.314197
H 1.795535 -5.165834 -0.397460


