%chk=000228640.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228640

0 1
O -2.308276 -2.483536 -0.246532
N 1.498500 0.598918 0.521228
N -1.410994 -0.394179 -0.411144
C 0.735057 -0.054548 -1.773193
C 1.949976 0.046431 -0.803237
C -0.338017 1.861754 -0.632064
C 0.147981 1.346885 -1.994442
C 0.844081 1.939691 0.362735
C 2.593604 -1.341153 -0.595404
C -0.364201 -1.013142 -1.281246
C 2.641805 0.713495 1.488760
C -1.413076 0.946146 -0.074673
C 3.758954 -1.271981 0.396398
C 3.278012 -0.665716 1.719015
C -2.400790 1.453229 0.754231
C -2.411256 -1.321363 0.112884
C -3.395720 0.593388 1.285500
C -3.405082 -0.737342 0.978074
H 1.116341 -0.454859 -2.744893
H 2.710440 0.718980 -1.283233
H -0.765423 2.888427 -0.752984
H -0.685827 1.313068 -2.720951
H 0.900777 2.030685 -2.425536
H 1.546032 2.733482 0.027560
H 0.460861 2.240562 1.364329
H 2.935604 -1.745021 -1.564782
H 1.824796 -2.049427 -0.213236
H -0.889628 -1.476266 -2.149939
H 0.092177 -1.859514 -0.702541
H 2.229709 1.093384 2.449741
H 3.416830 1.437083 1.155375
H 4.588054 -0.671878 -0.023233
H 4.170386 -2.284503 0.568215
H 2.532486 -1.339955 2.189175
H 4.114379 -0.576729 2.435369
H -2.415740 2.505596 1.011665
H -4.155469 1.017560 1.945296
H -4.149643 -1.426652 1.370312


%chk=000228640-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228640

0 1
O -2.327544 -2.547345 -0.244782
N 1.514557 0.601371 0.514609
N -1.422508 -0.379296 -0.392988
C 0.721648 -0.064029 -1.763501
C 1.935614 0.015922 -0.788024
C -0.337476 1.862694 -0.629962
C 0.154233 1.352410 -2.001018
C 0.869663 1.923284 0.346789
C 2.625431 -1.352407 -0.585157
C -0.419077 -0.999488 -1.310023
C 2.624840 0.693331 1.499780
C -1.436667 0.969311 -0.076796
C 3.799690 -1.261049 0.413460
C 3.291830 -0.670931 1.746784
C -2.432616 1.476356 0.758179
C -2.403716 -1.323872 0.111003
C -3.420404 0.598659 1.300403
C -3.404500 -0.756229 0.993031
H 1.111533 -0.478448 -2.714007
H 2.688277 0.696782 -1.281441
H -0.746833 2.885589 -0.717050
H -0.670546 1.332577 -2.738089
H 0.941500 2.023581 -2.393759
H 1.592073 2.686174 -0.052367
H 0.531145 2.272613 1.339890
H 2.973227 -1.721934 -1.569679
H 1.892014 -2.083892 -0.196833
H -0.980694 -1.369077 -2.189214
H -0.043038 -1.903372 -0.804175
H 2.208601 1.094528 2.443368
H 3.406927 1.418841 1.147011
H 4.596634 -0.608360 0.000295
H 4.247860 -2.259753 0.571781
H 2.553684 -1.359051 2.201432
H 4.123577 -0.545824 2.466058
H -2.437999 2.545549 0.986197
H -4.197502 1.000432 1.960819
H -4.145736 -1.454646 1.390575


