%chk=000212562.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212562

0 1
O -0.826136 1.249048 -0.320999
O -0.255935 2.741078 1.275633
O 4.786436 1.888194 1.260247
O 2.801255 -2.216268 -0.361931
O 5.054920 -0.892932 0.485960
N -3.976576 0.286209 -1.356229
C -2.985558 1.240164 0.879529
C -2.195196 1.765370 -0.352092
C -4.449399 1.714563 0.687987
C -2.775583 1.149402 -1.648879
C -5.003125 1.132658 -0.638909
C -2.992644 -0.269622 0.812358
C -3.539132 -0.751991 -0.409874
C -2.544363 -1.163778 1.772080
C -3.641121 -2.111869 -0.668461
C -2.646722 -2.543020 1.513257
C -3.186621 -3.008518 0.314669
C 0.059505 1.806528 0.575902
C 1.363589 1.086622 0.505713
C 1.400833 -0.246835 0.072616
C 2.513715 1.761757 0.895753
C 3.757419 1.090313 0.841985
C 2.628631 -0.911881 0.037741
C 3.830854 -0.251249 0.414294
C 6.130936 1.339461 1.277660
C 1.619743 -2.954887 -0.769554
C 5.469945 -1.566309 -0.734635
H -2.547264 1.631380 1.821136
H -2.141394 2.871382 -0.366037
H -4.500001 2.816406 0.688621
H -5.062406 1.379673 1.543570
H -3.070379 1.935150 -2.370850
H -2.003204 0.523847 -2.152192
H -5.891655 0.495543 -0.451071
H -5.327431 1.938286 -1.326065
H -2.119978 -0.812910 2.710345
H -4.063369 -2.470582 -1.604919
H -2.301425 -3.251672 2.264125
H -3.263200 -4.079290 0.133270
H 0.472483 -0.734931 -0.224390
H 2.481473 2.795402 1.247287
H 6.165342 0.441512 1.906251
H 6.699679 2.167563 1.716029
H 6.453753 1.114470 0.257812
H 1.168565 -2.493407 -1.652716
H 0.910020 -3.025458 0.060752
H 2.046258 -3.937640 -1.006858
H 5.479627 -0.866685 -1.572278
H 4.807106 -2.418550 -0.931968
H 6.478331 -1.902898 -0.471980


%chk=000212562-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212562

0 1
O -0.840407 0.982784 -0.418132
O -0.100592 2.817819 0.824666
O 4.792677 1.810649 1.553498
O 3.087598 -2.227347 -0.684419
O 5.229030 -0.918280 0.471798
N -4.212423 0.230176 -1.245929
C -2.996942 1.229036 0.844491
C -2.208515 1.573025 -0.453870
C -4.401287 1.897720 0.672677
C -2.951007 0.934970 -1.670800
C -5.107524 1.248366 -0.574977
C -3.192263 -0.275441 0.904583
C -3.856666 -0.781743 -0.244270
C -2.798646 -1.155762 1.931112
C -4.140395 -2.150695 -0.382788
C -3.080590 -2.538961 1.801877
C -3.747234 -3.033664 0.654362
C 0.136443 1.706888 0.285289
C 1.446348 1.000391 0.295157
C 1.589525 -0.298873 -0.257950
C 2.544490 1.650543 0.889244
C 3.816798 1.029670 0.929689
C 2.846416 -0.927480 -0.207464
C 3.985478 -0.270102 0.365138
C 6.191321 1.377385 1.710131
C 1.933821 -2.982174 -1.185570
C 5.872071 -1.347334 -0.790626
H -2.472338 1.630369 1.726290
H -2.101002 2.670173 -0.533674
H -4.277773 2.989339 0.538015
H -4.995399 1.741402 1.589782
H -3.226528 1.703705 -2.413693
H -2.284104 0.204943 -2.157748
H -6.037188 0.733138 -0.283610
H -5.365542 2.010301 -1.332365
H -2.277638 -0.776505 2.818543
H -4.655581 -2.508961 -1.279976
H -2.781107 -3.232209 2.596199
H -3.961274 -4.105180 0.569035
H 0.715520 -0.787431 -0.690941
H 2.427461 2.648351 1.320159
H 6.260928 0.427516 2.262999
H 6.656348 2.197481 2.279875
H 6.691131 1.268199 0.731249
H 1.495234 -2.500513 -2.080533
H 1.158098 -3.088276 -0.403855
H 2.334340 -3.971136 -1.452631
H 6.039404 -0.475231 -1.452707
H 5.253296 -2.101649 -1.302364
H 6.836788 -1.780590 -0.485270


