%chk=000213169.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213169

0 1
O 1.925129 -0.489028 -0.091703
O -0.578443 -1.966417 -0.877737
O 0.313391 0.024156 1.456129
O -1.739582 -0.740622 -2.416190
O -0.677733 2.621040 0.909606
O -3.897084 0.627524 -0.932533
N 1.124084 1.603396 -0.107433
N -2.090512 -0.525593 -0.072560
C 1.842943 -1.927475 0.268888
C 1.704488 -2.683571 -1.068725
C 3.124472 -2.228293 1.076239
C 0.464778 -2.233792 -1.865130
C 2.933118 -2.539796 -1.968243
C 3.138783 -1.401845 2.366033
C 3.207987 -3.723732 1.397295
C 1.025841 0.345872 0.533813
C -1.541806 -1.024966 -1.263331
C 0.236067 2.713706 0.130165
C 0.591490 3.922869 -0.708462
C -3.213013 0.382162 0.026306
C -3.355046 0.945519 1.420950
C -0.259971 5.121672 -0.309215
C -4.718126 1.596411 1.607758
H 0.924166 -2.078807 0.887296
H 1.569687 -3.765512 -0.800550
H 4.010555 -1.933307 0.460123
H 0.077933 -3.027626 -2.526085
H 0.646270 -1.315483 -2.452532
H 3.189949 -1.482794 -2.121747
H 3.812441 -3.026503 -1.529649
H 2.773403 -2.992136 -2.953871
H 2.245528 -1.578640 2.978691
H 3.173300 -0.327360 2.151074
H 4.011396 -1.640575 2.983287
H 3.297336 -4.337477 0.494880
H 4.084707 -3.939948 2.020585
H 2.329660 -4.071377 1.954348
H 1.851072 1.680882 -0.830167
H -1.583343 -0.784214 0.797142
H 0.430545 3.688870 -1.785000
H 1.668563 4.173305 -0.605780
H -2.536516 1.697621 1.578455
H -3.186588 0.174356 2.200066
H -1.334058 4.900784 -0.400817
H -0.043647 5.991175 -0.940858
H -0.087762 5.412708 0.735846
H -4.920522 2.334866 0.817910
H -4.779501 2.113201 2.572373
H -5.529729 0.858897 1.567061


%chk=000213169-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213169

0 1
O 2.007164 -0.436917 -0.062745
O -0.562536 -1.813776 -0.728677
O 0.264899 0.021496 1.465939
O -2.107394 -1.119388 -2.365177
O -0.705584 2.708887 0.954384
O -4.338942 0.233328 -0.909286
N 1.184725 1.663773 0.019040
N -2.272594 -0.511124 -0.054262
C 1.983046 -1.908361 0.279533
C 1.697400 -2.685071 -1.034260
C 3.310286 -2.251656 0.994683
C 0.441979 -2.152203 -1.759431
C 2.874692 -2.690349 -2.037803
C 3.488281 -1.393161 2.269760
C 3.353538 -3.759295 1.352984
C 1.062841 0.375395 0.572607
C -1.727462 -1.137478 -1.179857
C 0.329678 2.775005 0.251789
C 0.814234 4.050462 -0.449036
C -3.501468 0.202850 0.022505
C -3.659868 0.923781 1.365377
C -0.230932 5.178376 -0.405086
C -5.007816 1.652920 1.486504
H 1.135108 -2.051595 0.973835
H 1.487214 -3.726607 -0.719408
H 4.148285 -2.026639 0.305032
H 0.028010 -2.906040 -2.452885
H 0.675315 -1.237516 -2.336878
H 3.198210 -1.659012 -2.267619
H 3.744770 -3.244400 -1.645710
H 2.575991 -3.173391 -2.986518
H 2.656114 -1.559307 2.979211
H 3.523076 -0.315539 2.032943
H 4.431511 -1.656638 2.782045
H 3.345801 -4.409007 0.459902
H 4.273501 -3.984970 1.921555
H 2.491451 -4.038752 1.988405
H 1.951295 1.776814 -0.650077
H -1.644318 -0.473978 0.761996
H 1.084128 3.811186 -1.497650
H 1.752417 4.374884 0.046699
H -2.811848 1.629752 1.473643
H -3.542919 0.180952 2.180925
H -1.151109 4.885710 -0.938583
H 0.170574 6.093206 -0.874586
H -0.512649 5.409208 0.635590
H -5.123128 2.398442 0.681545
H -5.076476 2.172313 2.458821
H -5.852388 0.947537 1.402283


