%chk=000179175.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179175

0 1
O -0.505876 -0.068487 -1.527772
O 3.394826 1.374417 1.334513
O -2.494524 0.444629 -2.557241
N -2.343612 -1.202814 -0.894394
N 1.501840 -0.661338 -4.133086
C -3.811371 -1.453655 -0.753788
C -4.289662 -0.862530 0.561874
C -4.069794 -2.957220 -0.852570
C -3.974940 -1.463481 1.788407
C -5.046053 0.318254 0.541390
C 0.182356 0.843220 -2.436124
C 1.118866 1.663121 -1.573604
C -1.888305 -0.211203 -1.735576
C 1.830168 1.045243 -0.538575
C -4.420286 -0.891766 2.983698
C -5.491151 0.886209 1.738320
C 2.691808 1.836142 0.227876
C 1.261565 3.032259 -1.828146
C -5.179665 0.282308 2.960668
C 2.857534 3.212623 -0.005493
C 2.129787 3.799040 -1.038851
C 3.772609 0.028045 1.409267
C 0.922744 0.001460 -3.387568
C 3.743717 -0.495336 2.709685
C 4.241222 -0.697833 0.309727
C 4.207896 -1.797531 2.901557
C 4.692941 -2.002054 0.531349
C 4.676426 -2.551389 1.817995
H -4.329967 -0.938926 -1.615365
H -5.137974 -3.173712 -0.717698
H -3.774138 -3.347603 -1.835920
H -3.524842 -3.536499 -0.098495
H -1.714876 -1.619596 -0.210253
H -3.386101 -2.378416 1.815849
H -5.285257 0.800343 -0.407039
H -0.580692 1.473531 -2.976966
H 1.690428 -0.016155 -0.330336
H -4.174344 -1.361962 3.934576
H -6.079276 1.802776 1.717536
H 0.703619 3.509175 -2.631942
H -5.526091 0.726367 3.892395
H 3.538002 3.789316 0.618607
H 2.238612 4.866175 -1.238127
H 3.375154 0.111218 3.533719
H 4.266510 -0.258722 -0.685227
H 4.201923 -2.229533 3.902277
H 5.063686 -2.591313 -0.308039
H 5.031760 -3.567195 1.978412


%chk=000179175-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179175

0 1
O -0.679194 -1.091277 -1.218729
O 3.706583 1.504111 1.146651
O -2.241177 0.120133 -2.528602
N -2.881006 -1.142773 -0.649192
N 2.071703 -2.519074 -2.638000
C -4.340670 -0.889678 -0.747061
C -4.883208 -0.503056 0.638560
C -5.054837 -2.077723 -1.425403
C -5.990031 -1.153013 1.236730
C -4.262862 0.565951 1.339556
C 0.402635 -0.514773 -2.087528
C 1.068137 0.668282 -1.396201
C -1.989771 -0.635575 -1.552049
C 2.128649 0.472828 -0.480099
C -6.465752 -0.746087 2.505894
C -4.735016 0.973940 2.604264
C 2.693865 1.594182 0.166525
C 0.572862 1.969253 -1.657223
C -5.841539 0.317214 3.194013
C 2.205743 2.898130 -0.081740
C 1.143317 3.077223 -0.991255
C 4.615890 0.410052 1.182786
C 1.321768 -1.628900 -2.380779
C 4.979360 -0.047562 2.467210
C 5.212075 -0.123805 0.017182
C 5.949845 -1.066849 2.585880
C 6.175076 -1.148614 0.151728
C 6.546928 -1.624571 1.430932
H -4.430011 -0.012382 -1.416824
H -6.124580 -1.854444 -1.586303
H -4.595696 -2.268419 -2.410069
H -4.975963 -3.000104 -0.821808
H -2.524564 -1.742236 0.097754
H -6.490637 -1.978627 0.720545
H -3.403786 1.076918 0.888111
H -0.083557 -0.177302 -3.024596
H 2.500451 -0.535812 -0.272248
H -7.323167 -1.260440 2.954390
H -4.244569 1.801576 3.128708
H -0.255375 2.104829 -2.360850
H -6.210894 0.631705 4.176399
H 2.665970 3.742330 0.440070
H 0.765344 4.085943 -1.187481
H 4.503759 0.398988 3.345466
H 4.939206 0.255291 -0.972547
H 6.235089 -1.426621 3.580468
H 6.636432 -1.570445 -0.747658
H 7.294375 -2.419121 1.525924


