%chk=000291731.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291731

0 1
O 0.765951 -0.955332 1.322507
O 1.560477 -2.369149 -1.664722
O 0.012012 1.479008 2.080936
O 2.298625 2.809401 -0.382251
O 4.459979 1.065543 0.215549
N -1.237393 -1.459094 0.214181
N 5.870144 -0.668511 -0.107852
N -3.370736 -1.582730 1.081576
N -1.672936 0.249871 -1.569992
N -5.677259 0.180477 -0.167268
N -4.003395 0.985587 -1.634660
C 2.105614 -0.277056 -0.546200
C 1.615378 0.139655 0.855683
C 0.975804 -1.204502 -1.069855
C 0.220432 -1.680600 0.208796
C 3.447846 -1.013726 -0.504909
C 0.746878 1.416174 0.849279
C 1.577258 2.714937 0.844833
C 4.595603 -0.114779 -0.109291
C -2.025501 -0.555398 -0.517549
C -2.124585 -2.036830 1.196233
C -3.356397 -0.654542 0.023355
C -4.374575 0.164514 -0.569090
C 6.139549 -2.079112 -0.451530
C 7.032659 0.158593 0.286612
C -2.713498 0.984441 -2.063369
C -6.133086 -0.636187 0.978561
C -6.685766 1.060697 -0.797034
H 2.196384 0.629828 -1.202626
H 2.413824 0.185201 1.626058
H 0.335719 -0.682593 -1.816856
H 0.420917 -2.757636 0.440681
H 3.376136 -1.880840 0.188949
H 3.630925 -1.471237 -1.506467
H 0.016079 1.408189 0.007442
H 2.256380 2.772579 1.711636
H 0.906850 3.596375 0.843046
H 0.995873 -2.686817 -2.402066
H -1.765123 -2.757595 1.917623
H -0.371417 0.589309 2.282114
H 3.183095 2.348022 -0.290904
H 5.647985 -2.764481 0.261516
H 7.221101 -2.293753 -0.424986
H 5.782578 -2.314944 -1.469947
H 6.700158 1.190656 0.527026
H 7.763633 0.223011 -0.535218
H 7.524543 -0.254175 1.181774
H -2.482073 1.658193 -2.907312
H -5.960000 -1.713311 0.784636
H -7.204215 -0.483569 1.174915
H -5.567363 -0.381667 1.896866
H -7.544586 0.466274 -1.150666
H -6.267551 1.598705 -1.673211
H -7.037734 1.821828 -0.079952


%chk=000291731-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291731

0 1
O 0.695322 -0.324946 1.317210
O 1.201200 -1.833449 -1.965112
O 0.387867 2.330460 1.889324
O 3.007936 3.022763 -0.674039
O 4.779666 0.988374 -0.145195
N -1.231293 -1.271226 0.212134
N 5.822297 -1.067299 0.018102
N -3.325810 -2.012082 0.779939
N -1.845693 0.785818 -1.044167
N -5.874843 -0.306265 -0.159035
N -4.270090 1.123864 -1.133662
C 2.191287 -0.011883 -0.575860
C 1.744769 0.624781 0.761394
C 0.899000 -0.716206 -1.067015
C 0.232313 -1.219419 0.243680
C 3.357650 -1.005709 -0.405105
C 1.116813 2.031138 0.648225
C 2.177747 3.149022 0.518578
C 4.693511 -0.289685 -0.169648
C -2.137241 -0.336789 -0.321329
C -2.010229 -2.241102 0.865848
C -3.434156 -0.812187 0.035657
C -4.554175 -0.019326 -0.404969
C 5.842167 -2.538340 0.004383
C 7.121997 -0.415683 0.270271
C -2.981406 1.455285 -1.406382
C -6.321755 -1.485278 0.603610
C -6.945794 0.579613 -0.649436
H 2.477253 0.777787 -1.290939
H 2.544545 0.640739 1.522276
H 0.234360 0.022410 -1.550844
H 0.576277 -2.249576 0.462219
H 3.154070 -1.693807 0.439709
H 3.416894 -1.632892 -1.314733
H 0.423577 2.057570 -0.218648
H 2.782827 3.164883 1.450065
H 1.648628 4.112717 0.434525
H 0.513615 -1.882992 -2.672480
H -1.555407 -3.082315 1.384753
H -0.149385 1.522354 2.104510
H 3.723636 2.337584 -0.505141
H 6.075215 -2.937239 1.011282
H 6.621551 -2.896067 -0.694952
H 4.877330 -2.949914 -0.319979
H 6.967179 0.672414 0.301236
H 7.839454 -0.660823 -0.535618
H 7.541074 -0.758063 1.235288
H -2.835603 2.371956 -1.985694
H -5.460608 -2.089242 0.924031
H -6.991179 -2.105963 -0.023666
H -6.891135 -1.161394 1.496812
H -7.614445 0.023971 -1.335047
H -6.490479 1.426076 -1.181707
H -7.547101 0.952478 0.201937


