%chk=000209348.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209348

0 1
O 1.627206 3.071917 -0.446835
O 0.583156 -2.875875 1.172522
O -2.881015 2.765260 0.062664
O -4.594705 0.831013 -0.264288
N -1.434545 1.016491 -0.299666
N 2.637460 -1.853479 -0.601005
C 0.001946 0.534124 -0.264292
C -0.069559 -1.023919 -0.196613
C 0.685768 1.217094 0.932596
C 2.011925 0.516193 1.296696
C 0.765187 2.732149 0.661071
C 1.609272 -0.856329 1.858637
C -1.555805 -1.303257 -0.032209
C 0.736383 -1.694391 0.941017
C 0.394948 -1.651682 -1.533820
C -2.318900 -0.110087 -0.148110
C -0.572265 3.307314 0.166191
C 3.046006 0.459821 0.189526
C -1.724608 2.345039 -0.000811
C 1.887019 -1.414269 -1.819050
C 3.678853 -0.872940 -0.166879
C -2.158225 -2.534474 0.151637
C 3.508402 1.551598 -0.437578
C -3.721488 -0.189255 -0.124530
C 3.041672 2.951927 -0.205138
C -3.564566 -2.600040 0.195813
C -4.335036 -1.457532 0.050934
C 3.208518 -3.220588 -0.755245
H 0.499582 0.869498 -1.212616
H 0.016945 1.105040 1.833745
H 2.491779 1.097731 2.132205
H 1.127201 3.268506 1.565931
H 1.068691 -0.734898 2.821643
H 2.506248 -1.457978 2.120155
H -0.217450 -1.255462 -2.366830
H 0.190446 -2.743783 -1.493722
H -0.390739 3.803419 -0.825329
H -0.909052 4.137202 0.825380
H 2.186301 -1.962804 -2.736486
H 2.066052 -0.338084 -2.035678
H 4.483139 -0.738593 -0.925322
H 4.183361 -1.285242 0.739810
H -1.549954 -3.432387 0.277546
H 4.277860 1.468447 -1.208104
H 3.295831 3.315862 0.807463
H 3.448955 3.657304 -0.958759
H -4.048304 -3.565913 0.342985
H -5.423898 -1.495157 0.070064
H 3.962152 -3.321880 -1.548230
H 2.379595 -3.923077 -0.958929
H 3.653276 -3.541889 0.201133
H -4.138522 1.759018 -0.287689


%chk=000209348-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000209348

0 1
O 1.762721 3.185280 -0.455601
O 0.681561 -2.953947 1.079402
O -2.945765 2.759953 0.162499
O -4.619741 0.843259 -0.048057
N -1.466208 0.977002 -0.200711
N 2.642498 -1.779539 -0.679776
C -0.024420 0.534581 -0.287260
C -0.060702 -1.035460 -0.260577
C 0.719609 1.253306 0.858243
C 2.046515 0.545263 1.265102
C 0.765697 2.775452 0.551867
C 1.633588 -0.841652 1.818221
C -1.547604 -1.349330 -0.037391
C 0.841461 -1.716756 0.835450
C 0.379184 -1.626348 -1.639643
C -2.333583 -0.171004 -0.070646
C -0.578360 3.272502 -0.052672
C 3.150718 0.492630 0.192083
C -1.753587 2.305358 -0.013329
C 1.879977 -1.365160 -1.882110
C 3.709203 -0.860995 -0.219836
C -2.138477 -2.616995 0.099933
C 3.678174 1.624934 -0.349417
C -3.759533 -0.232384 0.009697
C 3.170697 3.013674 -0.034394
C -3.550188 -2.688589 0.194129
C -4.339497 -1.523525 0.143436
C 3.002938 -3.208161 -0.644017
H 0.392013 0.888549 -1.249811
H 0.067783 1.167358 1.755343
H 2.463952 1.132619 2.113687
H 0.991172 3.310542 1.500900
H 0.993387 -0.689430 2.712566
H 2.498193 -1.435641 2.163823
H -0.232881 -1.192015 -2.452993
H 0.175710 -2.712302 -1.621549
H -0.364594 3.511871 -1.113324
H -0.920321 4.205933 0.419434
H 2.227208 -1.907096 -2.788418
H 2.061279 -0.289385 -2.058437
H 4.505055 -0.716926 -0.987275
H 4.194000 -1.349368 0.649443
H -1.510433 -3.508402 0.160718
H 4.474804 1.538026 -1.100312
H 3.260885 3.246537 1.050883
H 3.729640 3.776726 -0.599960
H -4.039909 -3.661999 0.306650
H -5.430874 -1.570618 0.206912
H 3.757356 -3.473461 -1.417367
H 2.098520 -3.821374 -0.790479
H 3.400493 -3.465773 0.352547
H -4.086815 1.728980 0.015990


