%chk=000259345.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259345

0 1
O 2.065532 -0.885126 0.060761
O 2.189766 1.432844 -2.303100
O 1.407951 2.271354 0.991297
O 5.831383 -1.263140 1.712674
N -0.246361 -0.713972 0.028242
N -1.652393 -2.296900 -0.867749
N -1.937245 1.031422 0.607628
N -4.247699 0.315905 0.011470
N -4.721663 -1.761873 -0.994234
N -3.806094 2.451050 0.899653
C 2.460781 1.296351 -0.917286
C 3.090113 -0.084167 -0.607464
C 1.162489 1.362700 -0.077443
C 0.984592 -0.063640 0.525640
C 4.290208 0.017225 0.328700
C -1.538048 -0.181236 0.111298
C 4.812765 -1.371670 0.713045
C -0.382881 -2.016445 -0.577347
C -2.402871 -1.180331 -0.454593
C -3.799980 -0.886292 -0.486195
C -3.309365 1.217522 0.506574
H 3.130361 2.163045 -0.704083
H 3.313951 -0.664526 -1.528576
H 0.293026 1.708251 -0.680489
H 1.011195 -0.077831 1.643001
H 4.011122 0.562188 1.258269
H 5.090484 0.619480 -0.142382
H 4.030410 -1.973507 1.220345
H 5.207670 -1.926443 -0.155085
H 1.557407 0.748789 -2.619605
H 0.542188 2.580268 1.360463
H 0.487635 -2.638747 -0.741632
H 6.605981 -0.777605 1.369947
H -4.426715 -2.661411 -1.344140
H -5.703888 -1.537770 -0.995765
H -3.220616 3.060711 1.449134
H -4.805493 2.561128 0.998325


%chk=000259345-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259345

0 1
O 2.051802 -0.769731 0.516570
O 3.144638 2.326435 -1.236771
O 0.370549 2.499557 0.342941
O 6.253869 -1.915892 0.749430
N -0.340370 -0.695476 0.336407
N -1.756169 -2.462174 -0.038130
N -1.979414 1.172391 0.210355
N -4.263393 0.360571 -0.232871
N -4.772965 -1.924694 -0.503399
N -3.809800 2.635091 0.024294
C 2.585595 1.494572 -0.179040
C 3.071560 0.021476 -0.264392
C 1.052703 1.346205 -0.173315
C 0.867999 0.071352 0.705500
C 4.456885 -0.231753 0.326034
C -1.612583 -0.145963 0.170538
C 4.926455 -1.689126 0.159461
C -0.486666 -2.094496 0.210293
C -2.470980 -1.248216 -0.061093
C -3.850504 -0.942498 -0.269171
C -3.331120 1.345382 0.001240
H 2.916122 1.964830 0.763411
H 3.025298 -0.318921 -1.322103
H 0.717565 1.091252 -1.210212
H 0.792131 0.368040 1.771299
H 4.451404 0.028304 1.400936
H 5.164089 0.456671 -0.182860
H 4.258634 -2.371124 0.708826
H 4.915263 -1.975630 -0.915778
H 2.579237 2.255649 -2.047575
H -0.626638 2.242367 0.342647
H 0.367653 -2.758598 0.298600
H 6.911439 -1.328487 0.297303
H -4.473467 -2.897321 -0.528676
H -5.748583 -1.671641 -0.643128
H -3.179943 3.412607 0.199897
H -4.802597 2.786592 -0.128170


