%chk=000257374.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257374

0 1
O -0.497811 2.280920 0.103965
O 0.914322 -2.221719 0.188501
O 0.980660 1.414203 -1.365413
O -0.428479 -1.403584 -1.431991
N -3.620529 -0.256082 1.259085
C 0.150381 0.019662 0.493359
C 1.334525 0.061489 1.491639
C -1.178368 -0.012440 1.285219
C 2.715394 0.031853 0.825231
C -2.434191 0.056321 0.396348
C 0.273970 1.261603 -0.398460
C 0.170069 -1.231058 -0.396117
C 3.832560 0.216826 1.860764
C 5.212285 0.175540 1.207711
C -4.726032 -0.840916 0.442750
C -4.098591 0.963720 1.976185
C -0.479630 3.561331 -0.609158
C 1.017619 -3.502682 -0.518463
C -1.334600 3.468544 -1.854772
C 2.001005 -3.378403 -1.662043
H 1.244812 -0.808802 2.176816
H 1.235517 0.966282 2.124464
H -1.217614 -0.932001 1.907434
H -1.190558 0.837512 1.998958
H 2.849400 -0.933678 0.293394
H 2.794845 0.812628 0.041700
H -2.364020 -0.693062 -0.425269
H -2.493644 1.051357 -0.097234
H 3.701121 1.179728 2.392218
H 3.763308 -0.571256 2.636256
H 5.394305 -0.783228 0.708813
H 6.006432 0.316453 1.949116
H 5.324565 0.961913 0.451883
H -5.563741 -1.101285 1.109234
H -5.109419 -0.189329 -0.355520
H -4.374477 -1.780575 -0.014253
H -4.477743 1.764968 1.325414
H -4.900902 0.674029 2.673345
H -3.274726 1.374185 2.581210
H 0.569928 3.823803 -0.832371
H -0.899589 4.230512 0.163438
H 0.008336 -3.800886 -0.853569
H 1.373366 -4.155923 0.298982
H -2.344612 3.104128 -1.630266
H -0.894705 2.770955 -2.585805
H -1.430763 4.441996 -2.349772
H 2.963721 -2.970667 -1.328231
H 1.618361 -2.701019 -2.442386
H 2.192738 -4.348364 -2.135238


%chk=000257374-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257374

0 1
O -0.397077 2.283315 0.131878
O 0.929834 -2.344780 0.129478
O 0.802179 1.286665 -1.597249
O -0.361255 -1.459257 -1.590250
N -3.687553 -0.216139 1.240633
C 0.150735 -0.058549 0.397980
C 1.340417 0.050789 1.417127
C -1.186533 -0.150203 1.216578
C 2.754872 0.175262 0.810259
C -2.480528 -0.207115 0.376488
C 0.208865 1.191423 -0.501869
C 0.223330 -1.313118 -0.494446
C 3.840012 0.275233 1.907250
C 5.264836 0.403252 1.326909
C -4.866883 -0.773872 0.546195
C -3.987603 1.103786 1.832440
C -0.353836 3.584165 -0.605906
C 0.979815 -3.648753 -0.604881
C -1.523063 3.682089 -1.589900
C 2.123505 -3.654156 -1.622699
H 1.300978 -0.845045 2.063910
H 1.134976 0.931197 2.058107
H -1.140966 -1.050498 1.857560
H -1.210112 0.729579 1.882258
H 2.962756 -0.704517 0.171485
H 2.819208 1.064728 0.153306
H -2.490107 -1.130768 -0.228367
H -2.500326 0.647524 -0.345679
H 3.624604 1.148092 2.557659
H 3.784380 -0.620274 2.559689
H 5.511285 -0.466595 0.689115
H 6.025320 0.462542 2.127276
H 5.358625 1.311409 0.702142
H -5.714455 -0.843329 1.252154
H -5.199618 -0.161034 -0.330541
H -4.639114 -1.791760 0.183705
H -4.234746 1.880141 1.061997
H -4.849302 1.014054 2.518123
H -3.128209 1.471426 2.417771
H 0.616263 3.659539 -1.128153
H -0.418018 4.338615 0.194557
H 0.005065 -3.809937 -1.098208
H 1.130815 -4.389152 0.197021
H -2.488193 3.554029 -1.069162
H -1.435086 2.913490 -2.375794
H -1.519868 4.675568 -2.075646
H 3.089395 -3.439659 -1.133175
H 1.947386 -2.904446 -2.411898
H 2.191795 -4.649455 -2.100126


