%chk=000255095.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000255095

0 1
O -0.771220 -3.051841 0.442090
N -5.842915 -0.483760 -0.033242
N 3.295878 4.373082 -0.974264
C -0.031469 -0.874368 1.180068
C 0.875698 0.180291 0.511161
C -1.524758 -0.476649 1.138498
C 0.388173 -1.111769 2.640636
C 0.130407 -2.247033 0.471667
C 0.741041 1.583393 1.120601
C -2.066967 -0.249216 -0.280876
C 1.459604 -2.550826 -0.158115
C 1.628770 2.555657 0.394334
C -3.508400 0.165975 -0.233183
C 2.517412 -3.022310 0.628047
C 1.620625 -2.390100 -1.540152
C 1.150680 3.269569 -0.715050
C 2.953507 2.762393 0.807724
C -3.886514 1.512175 -0.322471
C -4.526916 -0.802083 -0.087319
C 3.745501 -3.319770 0.029295
C 2.851615 -2.686426 -2.132456
C -5.241258 1.851794 -0.269292
C 2.011916 4.164587 -1.367637
C 3.749808 3.675488 0.100208
C 3.914186 -3.148623 -1.348566
C -6.189937 0.827249 -0.124286
H 1.936273 -0.142388 0.579973
H 0.652695 0.227871 -0.574148
H -2.120939 -1.279459 1.626098
H -1.684965 0.430798 1.751440
H 1.456148 -1.340979 2.726989
H -0.171592 -1.940779 3.093601
H 0.198519 -0.225437 3.257798
H 0.997086 1.555810 2.200022
H -0.316379 1.919569 1.081378
H -1.962638 -1.184030 -0.874735
H -1.459283 0.510914 -0.811546
H 2.383409 -3.168891 1.698945
H 0.788963 -2.044927 -2.153055
H 0.132161 3.134706 -1.066844
H 3.360715 2.225164 1.659702
H -3.132952 2.290114 -0.432783
H -4.284569 -1.869955 -0.009982
H 4.570109 -3.689478 0.637194
H 2.981191 -2.561422 -3.206821
H -5.556621 2.889694 -0.338855
H 1.677367 4.742490 -2.237241
H 4.789530 3.866546 0.391096
H 4.872184 -3.379969 -1.812722
H -7.262674 1.044059 -0.078026


%chk=000255095-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000255095

0 1
O -0.882261 -2.737233 -0.187091
N -5.823989 -0.706379 -0.229125
N 3.521927 4.652665 -0.617780
C 0.011726 -0.789699 0.997594
C 0.902669 0.358119 0.414574
C -1.497128 -0.383973 1.012093
C 0.400129 -1.142776 2.471304
C 0.160433 -2.093361 0.141118
C 0.745768 1.731801 1.130570
C -2.079130 0.109622 -0.342537
C 1.495368 -2.628292 -0.329510
C 1.694169 2.763331 0.543117
C -3.581755 0.314053 -0.254875
C 2.753549 -2.355736 0.275956
C 1.461544 -3.509557 -1.448562
C 1.358269 3.502040 -0.620472
C 2.973445 3.001156 1.106987
C -4.165135 1.589601 -0.054222
C -4.466021 -0.796489 -0.335021
C 3.934940 -2.945805 -0.222631
C 2.641918 -4.084112 -1.957059
C -5.568982 1.707247 0.059213
C 2.287161 4.420900 -1.157748
C 3.840773 3.939842 0.504048
C 3.886629 -3.804426 -1.344236
C -6.356424 0.537329 -0.031840
H 1.968420 0.074416 0.453512
H 0.669887 0.491492 -0.660095
H -2.083651 -1.262092 1.336238
H -1.647050 0.401342 1.778737
H 1.471477 -1.373395 2.594447
H -0.176935 -2.018096 2.819932
H 0.156903 -0.298342 3.141081
H 0.951245 1.612010 2.210409
H -0.296720 2.086472 1.032742
H -1.853998 -0.643736 -1.118428
H -1.593190 1.057308 -0.645171
H 2.826157 -1.711517 1.155324
H 0.488644 -3.731940 -1.898171
H 0.382242 3.371402 -1.102979
H 3.291024 2.468608 2.011209
H -3.527398 2.480263 0.007444
H -4.064609 -1.805027 -0.496664
H 4.892947 -2.735309 0.264998
H 2.594747 -4.750433 -2.825147
H -6.046142 2.680927 0.211164
H 2.044580 5.002830 -2.054485
H 4.831592 4.140285 0.928147
H 4.806960 -4.253450 -1.733816
H -7.448518 0.583017 0.050600


