%chk=000236468.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236468

0 1
O -3.540852 -0.939848 -0.585384
O 4.434251 -1.030270 1.132187
O -3.319452 1.258497 -0.097860
N 0.174048 -1.136546 -0.543387
N 3.050196 -0.766827 -0.654945
C 0.761436 0.233965 -0.713551
C 1.079906 -1.997976 0.286360
C 2.128222 0.110126 -1.420011
C 2.456815 -2.109436 -0.401802
C -1.195679 -1.056189 0.053999
C -2.183817 -0.973549 -1.118196
C 3.975548 -0.266414 0.289212
C 4.430718 1.136902 0.139346
C 5.304609 1.655575 1.013277
C -4.012221 0.262878 -0.099124
C 5.822676 3.046647 0.942202
C -5.394566 0.082215 0.366183
C -6.090207 1.107233 0.878647
C -7.488619 0.991300 1.364378
H 0.875220 0.781090 0.247163
H 0.068897 0.833160 -1.344209
H 0.625858 -3.010204 0.355568
H 1.207605 -1.623091 1.324901
H 2.577688 1.115595 -1.570721
H 1.992274 -0.342797 -2.430672
H 2.359635 -2.628021 -1.381538
H 3.152578 -2.708688 0.232258
H -1.420627 -1.959716 0.660218
H -1.342023 -0.186326 0.732683
H -2.203122 -1.893860 -1.728822
H -2.019651 -0.087552 -1.754350
H 4.038024 1.702856 -0.704452
H 5.687595 1.050362 1.847235
H 6.917988 3.051584 0.825363
H 5.597964 3.600748 1.866569
H 5.407427 3.627118 0.107192
H -5.796908 -0.927516 0.260564
H -5.642827 2.106844 0.963629
H -8.158310 1.666266 0.807875
H -7.903116 -0.022712 1.269310
H -7.564084 1.272076 2.426902


%chk=000236468-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236468

0 1
O -3.671433 -1.106452 -0.625581
O 4.850603 -1.063793 0.782014
O -3.468157 1.186416 -0.190867
N 0.096677 -1.166662 -0.331578
N 2.899590 -0.503965 -0.353299
C 0.538311 0.248919 -0.293248
C 1.080948 -2.042104 0.353112
C 1.913554 0.399425 -0.978905
C 2.458594 -1.916017 -0.325515
C -1.303665 -1.346661 0.112821
C -2.254019 -1.119407 -1.080365
C 4.133413 -0.168421 0.217487
C 4.592536 1.253625 0.136537
C 5.770561 1.622609 0.711204
C -4.163199 0.136946 -0.188734
C 6.353329 3.011111 0.690601
C -5.573460 0.001131 0.236254
C -6.279589 1.077292 0.683496
C -7.715177 1.049298 1.131593
H 0.613952 0.622100 0.759544
H -0.202907 0.879059 -0.816401
H 0.737169 -3.090093 0.279877
H 1.185914 -1.785896 1.436791
H 2.239795 1.446762 -0.909310
H 1.804494 0.136353 -2.050858
H 2.382292 -2.290460 -1.366152
H 3.225698 -2.492462 0.215643
H -1.434301 -2.376757 0.490433
H -1.578963 -0.651974 0.939804
H -2.195100 -1.949801 -1.799563
H -2.030461 -0.161993 -1.581689
H 3.998011 2.002483 -0.397474
H 6.337066 0.834067 1.228322
H 7.354023 3.008638 0.215420
H 6.499422 3.390207 1.721186
H 5.712270 3.725937 0.145674
H -6.013947 -0.998934 0.167396
H -5.756427 2.045053 0.717481
H -8.328083 1.739307 0.519049
H -8.153860 0.039506 1.063910
H -7.804378 1.401107 2.178087


