%chk=000183764.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183764

0 1
O -0.336075 -1.575474 0.725577
O 1.806546 -0.899766 0.136696
O -1.021381 -1.080543 -1.385401
O -4.198122 -0.285498 -0.590115
O -6.049728 0.836791 -0.295577
N 1.932180 1.194021 1.035782
N -2.309064 2.885340 0.112498
N -4.212094 1.935211 -0.810619
N -2.075098 1.344250 -1.803319
N -4.860615 0.739763 -0.524715
C -2.042651 -3.013616 -0.156818
C -2.864940 -2.711638 1.098784
C -1.138265 -4.234104 0.035502
C -2.954960 -3.179730 -1.375342
C -1.134094 -1.799677 -0.433043
C -0.406208 1.428323 2.040900
C 0.632587 0.693862 1.275147
C -0.456414 2.928981 1.727035
C 0.570927 -0.577469 0.733017
C -0.890903 3.240155 0.284829
C 2.598603 0.251996 0.368142
C 3.962261 0.212385 -0.141125
C 4.412169 -0.895219 -0.881011
C 4.825897 1.292661 0.112206
C 5.721646 -0.917900 -1.363525
C 6.133868 1.258798 -0.376067
C -2.739988 2.040209 -0.769849
C 6.582111 0.156947 -1.112183
H -3.512717 -3.557798 1.357868
H -2.225660 -2.508346 1.967819
H -3.523844 -1.841577 0.952581
H -1.731099 -5.128642 0.263158
H -0.547174 -4.457929 -0.860299
H -0.435750 -4.088757 0.868710
H -3.615963 -2.307562 -1.507508
H -2.389581 -3.302363 -2.306656
H -3.603483 -4.056627 -1.263684
H -1.402880 0.968877 1.862758
H -0.204011 1.294677 3.129461
H -1.150559 3.422653 2.438084
H 0.544718 3.378968 1.898744
H -0.812836 4.339882 0.102130
H -0.197770 2.753416 -0.435610
H 3.734908 -1.729615 -1.073441
H 4.469573 2.150386 0.688040
H 6.073243 -1.774472 -1.937352
H 6.805555 2.094333 -0.181797
H 7.603521 0.135288 -1.491072
H -4.725102 2.805238 -0.549116
H -2.580766 0.578342 -2.246509
H -1.120218 1.046067 -1.586917


%chk=000183764-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183764

0 1
O -0.349430 -1.539390 0.763321
O 1.876834 -0.931153 0.145624
O -0.744096 -1.293538 -1.537256
O -4.916749 -0.010358 -1.315194
O -6.524485 1.218330 -0.222176
N 2.043870 1.183354 1.011215
N -2.401962 2.964708 0.263811
N -4.389542 2.004831 -0.284521
N -2.428813 1.125669 -1.355020
N -5.316697 1.016807 -0.622930
C -1.977673 -3.056073 -0.259725
C -3.022453 -2.643750 0.820592
C -1.163531 -4.289878 0.234931
C -2.689701 -3.375648 -1.596813
C -1.005977 -1.898577 -0.486465
C -0.270614 1.504313 2.043074
C 0.733713 0.701125 1.261731
C -0.321759 2.995088 1.621903
C 0.639775 -0.574640 0.733135
C -0.952610 3.229692 0.228026
C 2.691331 0.218153 0.356062
C 4.061110 0.195240 -0.145904
C 4.568251 -0.928544 -0.853735
C 4.899307 1.321875 0.081895
C 5.896751 -0.921488 -1.325560
C 6.225308 1.319624 -0.393244
C -2.955199 2.028138 -0.459618
C 6.729728 0.199622 -1.097932
H -3.710901 -3.490907 0.991375
H -2.533606 -2.389994 1.775677
H -3.625736 -1.781819 0.483040
H -1.857061 -5.136138 0.387935
H -0.406499 -4.597207 -0.509118
H -0.652793 -4.074762 1.188092
H -3.301528 -2.522905 -1.939590
H -1.964225 -3.619837 -2.391957
H -3.359175 -4.242255 -1.453826
H -1.272185 1.044048 1.953308
H 0.002481 1.455986 3.116082
H -0.912972 3.559869 2.365744
H 0.706512 3.400855 1.619649
H -0.817042 4.296118 -0.036039
H -0.390246 2.638388 -0.530448
H 3.919770 -1.792570 -1.029047
H 4.494824 2.179001 0.629691
H 6.283429 -1.789074 -1.871133
H 6.867448 2.188973 -0.215024
H 7.761623 0.201022 -1.465853
H -4.765042 2.742699 0.320476
H -3.039805 0.425496 -1.780979
H -1.421662 1.024979 -1.460488


