%chk=000217143.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217143

0 1
O -3.272778 -2.207556 0.379582
O -0.849445 2.031711 -1.717080
O 5.172233 0.217121 -0.413670
N -4.969812 -0.837720 1.010603
N -0.401749 0.425477 -0.087782
N -7.427347 -0.237028 -0.480324
C -2.641919 0.088334 0.758142
C -1.184568 -0.440285 0.843301
C -2.680805 0.979207 -0.494388
C -3.631865 -1.072173 0.655811
C -1.228869 1.240578 -0.880945
C -5.583227 0.512546 1.087361
C -5.960633 -1.917550 0.727767
C -6.417770 0.814511 -0.179795
C -6.795797 -1.585492 -0.527092
C 1.026059 0.323659 -0.164067
C 1.690335 -0.771076 0.409794
C 1.767661 1.339804 -0.815906
C 3.086757 -0.857143 0.357222
C 3.148492 1.259241 -0.877094
C 3.803864 0.156646 -0.283232
C 5.963154 -0.886207 0.128702
C 7.391753 -0.476489 -0.222103
C 8.401751 -1.518436 0.271464
C 9.832394 -1.115340 -0.076256
H -2.862788 0.693677 1.669978
H -0.783579 -0.365402 1.873720
H -1.128822 -1.510387 0.522488
H -3.196047 0.492940 -1.348161
H -3.204280 1.936861 -0.324261
H -6.234319 0.534089 1.992345
H -4.814039 1.294982 1.245171
H -5.421172 -2.886506 0.590561
H -6.607202 -2.032573 1.623616
H -6.940450 1.788920 -0.073178
H -5.750982 0.913095 -1.065737
H -7.592937 -2.345676 -0.670930
H -6.153906 -1.635356 -1.436316
H -8.160523 -0.225385 0.238289
H 1.139728 -1.574220 0.895789
H 1.248369 2.184886 -1.283846
H 3.583385 -1.709367 0.808933
H 3.740532 2.025817 -1.375057
H 5.651312 -1.820696 -0.366568
H 5.787861 -0.943293 1.215655
H 7.478992 -0.334575 -1.318713
H 7.610759 0.519504 0.213843
H 8.307482 -1.648371 1.367925
H 8.174769 -2.507274 -0.174500
H 10.551796 -1.862608 0.277787
H 10.105087 -0.156113 0.379399
H 9.972405 -1.013110 -1.158947


%chk=000217143-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217143

0 1
O -3.320578 -2.355187 0.038781
O -0.873830 2.283788 -1.801657
O 5.281607 0.395688 -0.418525
N -4.948418 -0.881656 0.802812
N -0.396618 0.452416 -0.345260
N -7.683945 -0.196658 0.093081
C -2.617198 -0.037906 0.421156
C -1.166022 -0.582521 0.393357
C -2.681185 0.875379 -0.834803
C -3.647979 -1.180293 0.411153
C -1.229275 1.319745 -1.066406
C -5.479116 0.451590 1.163506
C -5.981058 -1.946700 0.765356
C -6.636649 0.839945 0.192713
C -7.124429 -1.536500 -0.202645
C 1.032810 0.426653 -0.364724
C 1.724835 -0.678278 0.194444
C 1.792041 1.493173 -0.931037
C 3.135973 -0.728854 0.198654
C 3.194410 1.440897 -0.927258
C 3.879664 0.335541 -0.364254
C 6.038787 -0.745837 0.126079
C 7.524499 -0.438138 -0.072407
C 8.430316 -1.579798 0.445017
C 9.930678 -1.274999 0.246395
H -2.742013 0.586384 1.325064
H -0.756858 -0.710874 1.410699
H -1.140168 -1.558919 -0.124924
H -3.016262 0.312717 -1.727491
H -3.334150 1.756815 -0.729527
H -5.869096 0.412415 2.202910
H -4.683615 1.211477 1.127827
H -5.486885 -2.877545 0.442454
H -6.384627 -2.088739 1.789755
H -7.094578 1.790771 0.520392
H -6.208874 1.001062 -0.816450
H -7.937062 -2.283674 -0.163619
H -6.726828 -1.526491 -1.235461
H -8.306035 -0.204851 0.912697
H 1.174695 -1.522444 0.620041
H 1.271951 2.341154 -1.379532
H 3.632717 -1.599550 0.636261
H 3.782414 2.255034 -1.362046
H 5.750811 -1.674126 -0.412025
H 5.799365 -0.873211 1.203457
H 7.713129 -0.265884 -1.149377
H 7.769468 0.505755 0.451406
H 8.228440 -1.755033 1.521600
H 8.173046 -2.522789 -0.079498
H 10.562822 -2.102024 0.617914
H 10.223073 -0.355421 0.787140
H 10.165098 -1.123297 -0.823895


