%chk=000228793.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228793

0 1
O 0.253108 0.874098 -1.415884
O 0.104066 2.323620 0.285272
O 3.307451 -2.966771 -1.622307
O -1.126287 -0.891323 0.150800
O 0.202128 -2.091349 1.587489
N 3.003608 -2.481369 0.598778
N 1.961087 3.872702 -1.375879
N 0.134421 -2.552750 -0.702090
C 3.371763 0.386603 -0.407537
C 3.171383 1.902083 -0.286894
C 4.018545 -0.203805 0.850451
C 2.060457 2.401169 -1.236238
C 4.267789 -1.714836 0.715722
C 0.717131 1.927895 -0.680892
C 2.593105 -2.968179 -0.634620
C 1.181511 -3.587235 -0.658720
C -2.945382 0.440602 0.772576
C -1.660876 -0.121571 1.299316
C -0.201662 -1.871984 0.459909
C -3.003323 1.782041 0.366489
C -4.087813 -0.369296 0.685691
C -4.203824 2.312085 -0.112837
C -5.284494 0.165769 0.202009
C -5.343970 1.505918 -0.195387
H 2.399748 -0.116529 -0.596449
H 3.989526 0.152817 -1.298524
H 4.119705 2.424247 -0.517588
H 2.926929 2.181457 0.758519
H 3.381332 -0.001079 1.734580
H 4.984215 0.299607 1.054672
H 2.207416 1.965193 -2.265588
H 4.818604 -2.093091 1.606299
H 4.907205 -1.926996 -0.176562
H 2.336947 -2.387651 1.374755
H 1.817384 4.325298 -0.475210
H 2.805106 4.256030 -1.790278
H 1.093339 -4.228719 -1.569399
H 1.027690 -4.258013 0.221287
H -0.134987 -2.186770 -1.614321
H -0.623752 0.499654 -1.067320
H -0.895209 0.646853 1.532457
H -1.786173 -0.804600 2.158614
H -2.108819 2.412281 0.427380
H -4.039763 -1.414158 0.989445
H -4.248974 3.354854 -0.424519
H -6.171534 -0.461887 0.134186
H -6.278255 1.921183 -0.570249


%chk=000228793-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228793

0 1
O 0.457853 0.817729 -1.480305
O 0.180365 2.523236 0.064499
O 3.436801 -3.215895 -1.598282
O -1.090026 -0.758672 0.071040
O 0.075659 -2.166383 1.577094
N 2.986708 -2.456444 0.572389
N 2.161626 3.956176 -1.338591
N 0.209811 -2.459521 -0.742337
C 3.515092 0.365336 -0.439638
C 3.304950 1.895911 -0.338398
C 4.155480 -0.240394 0.829709
C 2.218034 2.485881 -1.315438
C 4.284394 -1.783892 0.767185
C 0.854572 1.980686 -0.851373
C 2.646756 -3.071801 -0.616244
C 1.180059 -3.568094 -0.675794
C -3.090667 0.458203 0.791201
C -1.749174 -0.050105 1.250198
C -0.232064 -1.839705 0.397101
C -3.218232 1.787052 0.310820
C -4.234222 -0.380012 0.833693
C -4.473736 2.267627 -0.123906
C -5.488206 0.100166 0.398103
C -5.609532 1.426014 -0.082130
H 2.543448 -0.131243 -0.615022
H 4.139042 0.124017 -1.322697
H 4.254058 2.424880 -0.557923
H 3.015546 2.179775 0.694456
H 3.549575 0.043329 1.715617
H 5.167756 0.181803 0.993171
H 2.406473 2.098169 -2.332483
H 4.754287 -2.161442 1.695482
H 4.919743 -2.082777 -0.085014
H 2.266503 -2.380640 1.302244
H 1.674651 4.351438 -0.527134
H 3.058618 4.407601 -1.535435
H 1.077201 -4.185987 -1.580583
H 0.941725 -4.178965 0.212531
H -0.036778 -2.062550 -1.650529
H -0.330849 0.385251 -1.004111
H -1.067984 0.769518 1.531667
H -1.808702 -0.790947 2.063589
H -2.332055 2.432402 0.278201
H -4.139761 -1.406533 1.208975
H -4.565781 3.295068 -0.492664
H -6.368117 -0.551512 0.436143
H -6.583298 1.800343 -0.417671


