%chk=000276847.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276847

0 1
O -3.479527 -2.902894 1.035122
O 4.267927 -1.220383 -1.384856
O 2.241990 3.816687 -2.419045
O -2.508378 4.306088 -2.062051
O 2.887570 1.775236 -2.687550
O -3.482382 3.454224 -0.336405
N 2.112737 2.614064 -2.258564
N -2.557740 3.519507 -1.128882
C -1.470849 1.414014 -0.204390
C 0.899036 0.981343 -0.734221
C -0.307382 0.635403 -0.105588
C 0.916553 2.165153 -1.521997
C -1.406733 2.613798 -0.964447
C -0.220631 2.974498 -1.617535
C -2.696100 0.986527 0.466368
C 2.084644 0.144602 -0.563767
C -4.347386 -0.736244 1.149635
C 3.578180 -1.277001 0.860096
C -3.116293 -0.290869 0.500827
C 2.411581 -0.437038 0.604784
C -4.537741 -2.120509 1.421237
C 4.529144 -1.665595 -0.122640
C -5.377958 0.144358 1.510973
C 3.792678 -1.734585 2.176657
C -5.702729 -2.598580 2.034963
C 5.640750 -2.465717 0.204939
C -6.545449 -0.322162 2.121443
C 4.887671 -2.528311 2.508335
C -6.702864 -1.686011 2.381683
C 5.811622 -2.890548 1.519000
C -3.578494 -4.355738 1.214040
C 5.260263 -1.440177 -2.447775
C -2.270144 -4.858954 0.639548
C 4.659628 -0.697054 -3.620925
H -0.344186 -0.283537 0.486994
H -0.185865 3.904933 -2.213138
H -3.277010 1.793426 0.938287
H 2.716034 0.027096 -1.464943
H -2.539068 -1.094196 0.018992
H 1.777587 -0.274932 1.488624
H -5.267341 1.212618 1.302414
H 3.082040 -1.454861 2.957343
H -5.841523 -3.653565 2.244067
H 6.361459 -2.756130 -0.552725
H -7.332088 0.379658 2.390959
H 5.028414 -2.864238 3.532896
H -7.615084 -2.046389 2.859107
H 6.670443 -3.510208 1.780180
H -4.459708 -4.715875 0.656051
H -3.683101 -4.563089 2.292711
H 5.342438 -2.526634 -2.616645
H 6.223244 -1.014764 -2.117886
H -2.160808 -4.576281 -0.417275
H -1.407509 -4.430731 1.169270
H -2.199287 -5.951154 0.705760
H 3.705096 -1.136447 -3.939518
H 4.438601 0.354487 -3.359592
H 5.337127 -0.687720 -4.481846


%chk=000276847-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276847

0 1
O -3.246906 -2.857946 1.377745
O 4.439288 -1.041562 -1.450655
O 2.084660 4.090618 -2.671508
O -2.501798 4.614042 -2.307314
O 2.958629 1.992482 -2.761952
O -3.654124 3.685021 -0.583565
N 2.028441 2.823895 -2.411304
N -2.618912 3.737270 -1.362723
C -1.622108 1.548466 -0.418914
C 0.807453 1.082622 -0.956085
C -0.438112 0.764662 -0.353021
C 0.831511 2.314127 -1.708162
C -1.506936 2.779326 -1.165154
C -0.301718 3.138447 -1.793178
C -2.856458 1.086210 0.226830
C 1.970198 0.202312 -0.782286
C -4.292956 -0.694858 1.302011
C 3.199727 -1.616329 0.536999
C -3.080933 -0.206965 0.643500
C 2.102106 -0.690448 0.260952
C -4.372361 -2.080618 1.679739
C 4.368992 -1.800698 -0.285423
C -5.415779 0.132894 1.592070
C 3.112677 -2.399242 1.728158
C -5.526266 -2.596499 2.316502
C 5.380663 -2.716506 0.097616
C -6.564555 -0.375515 2.224451
C 4.112140 -3.312623 2.107782
C -6.617396 -1.742940 2.586269
C 5.252341 -3.466998 1.285405
C -3.268142 -4.297995 1.714178
C 5.642885 -1.146508 -2.312593
C -1.935733 -4.878706 1.249498
C 5.425572 -0.204488 -3.492540
H -0.492097 -0.171667 0.206224
H -0.248236 4.072363 -2.356917
H -3.632535 1.842050 0.352132
H 2.775843 0.286774 -1.507686
H -2.324709 -0.981120 0.470557
H 1.316534 -0.716093 1.031685
H -5.384312 1.190541 1.311225
H 2.229477 -2.266417 2.365356
H -5.584551 -3.649896 2.603115
H 6.269325 -2.849445 -0.524785
H -7.413360 0.283064 2.433142
H 4.010831 -3.892509 3.030324
H -7.508494 -2.147714 3.078409
H 6.044274 -4.170074 1.565897
H -4.121500 -4.780815 1.196476
H -3.401129 -4.415295 2.808832
H 5.757092 -2.197828 -2.645908
H 6.533039 -0.857876 -1.717992
H -1.809612 -4.746691 0.161575
H -1.092190 -4.384432 1.761155
H -1.895893 -5.959357 1.476828
H 4.546053 -0.510340 -4.083918
H 5.259266 0.829671 -3.149873
H 6.313894 -0.223245 -4.150078


