%chk=000257388.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257388

0 1
O 0.608628 -0.565096 1.667104
O 2.448100 -0.062442 -2.756816
O 2.804831 -3.966256 -0.425294
N -2.156190 1.355130 -0.685375
N 1.691383 -2.233992 0.611704
N 2.621171 -1.983987 -1.588581
C 1.440070 0.006481 -0.546196
C 0.064879 0.432241 -1.116374
C 2.281097 1.213797 -0.066589
C -0.751664 1.355076 -0.189951
C 3.688657 0.822578 0.398908
C 1.195115 -0.901737 0.662223
C 2.194381 -0.632810 -1.721361
C 4.457886 2.050681 0.908648
C -2.582321 2.641807 -1.303046
C 2.405705 -2.824483 -0.464805
C -3.125919 0.587364 0.020383
C 5.864330 1.677571 1.369092
C -2.906706 3.740110 -0.290730
C -4.495445 0.699152 -0.318587
C -2.737258 -0.371608 0.983713
C -5.433483 -0.138454 0.281311
C -3.692707 -1.197766 1.572157
C -5.043602 -1.091202 1.227720
H -0.536510 -0.472956 -1.353341
H 0.215020 0.941968 -2.093790
H 1.744121 1.724782 0.760286
H 2.347265 1.952386 -0.893874
H -0.326900 2.381036 -0.197092
H -0.687370 1.004375 0.871492
H 3.635817 0.062306 1.202825
H 4.256207 0.353181 -0.429114
H 3.905063 2.523452 1.744685
H 4.517867 2.817155 0.110454
H 1.514943 -2.839254 1.432028
H 3.129854 -2.403708 -2.385487
H -1.775335 2.973944 -1.993774
H -3.472511 2.437688 -1.944589
H 6.456798 1.242624 0.555597
H 5.844658 0.947677 2.186858
H 6.407700 2.558044 1.732133
H -3.701377 3.426740 0.400279
H -2.039299 4.007977 0.321934
H -3.250296 4.651758 -0.791862
H -4.822594 1.427234 -1.056686
H -1.692184 -0.467354 1.284175
H -6.484558 -0.047126 0.008020
H -3.379389 -1.933442 2.313052
H -5.781130 -1.739140 1.690428


%chk=000257388-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257388

0 1
O 1.047824 -0.520146 2.014420
O 2.464923 -0.033040 -2.612003
O 2.150066 -4.203324 -0.587189
N -2.119770 1.514127 -0.268550
N 1.555296 -2.319655 0.664213
N 2.257088 -2.087663 -1.578366
C 1.504661 -0.016644 -0.350580
C 0.041949 0.395065 -0.803855
C 2.351381 1.236591 0.032033
C -0.722591 1.349684 0.159433
C 3.820557 0.922783 0.391361
C 1.366069 -0.940368 0.869548
C 2.126479 -0.685790 -1.590512
C 4.610710 2.198026 0.763534
C -2.424491 2.654922 -1.155171
C 1.994085 -2.960557 -0.509116
C -3.112671 0.590297 0.110117
C 6.082126 1.905600 1.126700
C -3.000282 3.881820 -0.409014
C -4.472306 0.748876 -0.309057
C -2.804431 -0.544486 0.928371
C -5.459710 -0.185364 0.062114
C -3.806642 -1.464658 1.296213
C -5.143841 -1.303948 0.866816
H -0.568098 -0.517868 -0.947641
H 0.139668 0.882552 -1.792264
H 1.866864 1.725614 0.895776
H 2.320174 1.934474 -0.825725
H -0.244116 2.344806 0.154767
H -0.669381 0.982662 1.198028
H 3.856365 0.216473 1.246387
H 4.322706 0.427208 -0.464075
H 4.110721 2.700540 1.616423
H 4.572446 2.909027 -0.086650
H 1.393845 -2.934084 1.469442
H 2.607499 -2.528521 -2.435368
H -1.487902 2.946340 -1.666860
H -3.119926 2.332632 -1.953630
H 6.612220 1.427275 0.281751
H 6.149566 1.223878 1.995309
H 6.625170 2.833241 1.383695
H -3.938937 3.625459 0.111823
H -2.284540 4.249555 0.348243
H -3.208109 4.705892 -1.117029
H -4.768823 1.607096 -0.918564
H -1.787058 -0.709744 1.295311
H -6.490248 -0.029877 -0.278740
H -3.533828 -2.318671 1.927596
H -5.915959 -2.024608 1.154432


