%chk=000203223.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203223

2 1
N -0.193021 -0.362263 -1.132793
N -5.090976 0.073752 0.433150
C 1.321379 0.485166 0.618849
C 1.746388 -0.971921 0.266686
C 2.589008 1.413781 0.675468
C 3.306474 -1.047199 0.082389
C 0.313158 0.922795 -0.460849
C 0.981408 -1.355735 -1.011531
C 3.503019 0.827180 1.791313
C 3.922201 -0.612013 1.444521
C 3.338521 1.258817 -0.638485
C 3.704652 0.006214 -0.939842
C -1.403296 -0.938049 -0.391647
C 2.210826 2.856948 0.979057
C 3.755153 -2.449816 -0.300273
C -0.524640 -0.122469 -2.584609
C -2.653705 -0.043030 -0.421887
C -3.739546 -0.651810 0.478595
C -6.029361 -0.623023 1.399785
C -4.942243 1.517576 0.854656
C -5.687028 0.009701 -0.954585
H 0.839778 0.505376 1.621394
H 1.470671 -1.658645 1.098414
H -0.521239 1.518453 -0.046461
H 0.819017 1.564662 -1.223752
H 1.642461 -1.256057 -1.907415
H 0.628553 -2.405472 -1.002057
H 3.000850 0.867929 2.773070
H 4.402449 1.467511 1.898308
H 5.027630 -0.680397 1.382119
H 3.635355 -1.313585 2.246928
H 3.577131 2.141010 -1.217748
H 4.286539 -0.289818 -1.803185
H -1.641535 -1.939037 -0.829639
H -1.090173 -1.128915 0.667115
H 1.617410 3.325513 0.189495
H 1.666226 2.959793 1.924858
H 3.114203 3.482691 1.087104
H 3.391830 -2.771201 -1.280704
H 4.856025 -2.510341 -0.353343
H 3.453492 -3.205420 0.435712
H 0.374816 0.199227 -3.155721
H -0.894170 -1.038922 -3.082975
H -1.276196 0.673407 -2.720537
H -3.024762 0.061365 -1.465021
H -2.395716 0.985290 -0.081221
H -3.911431 -1.722596 0.199260
H -3.385804 -0.667030 1.540849
H -7.035966 -0.152432 1.408425
H -5.661504 -0.586615 2.444013
H -6.188302 -1.687907 1.138980
H -5.929164 2.025896 0.927798
H -4.473046 1.613877 1.853150
H -4.345729 2.108550 0.137419
H -6.695841 0.476902 -0.988830
H -5.820078 -1.033401 -1.303486
H -5.073552 0.541935 -1.703084


%chk=000203223-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000203223

2 1
N -0.179783 -0.230690 -1.271186
N -5.093161 0.017400 0.489278
C 1.325866 0.553377 0.528939
C 1.697786 -0.939037 0.179285
C 2.634084 1.417715 0.703002
C 3.265422 -1.112106 0.120403
C 0.432139 1.043696 -0.630315
C 1.013433 -1.230484 -1.170806
C 3.410338 0.749288 1.895691
C 3.775203 -0.728149 1.557343
C 3.493859 1.227695 -0.543453
C 3.817988 -0.061958 -0.838233
C -1.355309 -0.787381 -0.446554
C 2.309593 2.894550 1.002073
C 3.666763 -2.553189 -0.251594
C -0.578519 -0.000852 -2.721182
C -2.658681 0.050608 -0.492820
C -3.663084 -0.580260 0.500545
C -5.897913 -0.690448 1.591910
C -5.069428 1.518716 0.786218
C -5.787024 -0.229050 -0.853502
H 0.771978 0.598627 1.486380
H 1.319039 -1.626030 0.959587
H -0.373958 1.735522 -0.340860
H 1.042692 1.511172 -1.422334
H 1.687174 -0.978241 -2.007620
H 0.632377 -2.256343 -1.297057
H 2.788978 0.808619 2.810510
H 4.320695 1.341218 2.090983
H 4.867845 -0.876829 1.588044
H 3.336420 -1.428039 2.294649
H 3.870927 2.090827 -1.104202
H 4.482433 -0.346918 -1.662163
H -1.545048 -1.804419 -0.834472
H -0.983104 -0.879682 0.587800
H 1.779315 3.387568 0.164598
H 1.690797 2.998696 1.912945
H 3.239865 3.464393 1.172123
H 3.332735 -2.834896 -1.268745
H 4.765349 -2.662027 -0.232281
H 3.251579 -3.288301 0.462491
H 0.321523 0.269297 -3.293380
H -1.011030 -0.925115 -3.136539
H -1.302353 0.825103 -2.787334
H -3.070899 0.041156 -1.516617
H -2.451054 1.098799 -0.213568
H -3.791238 -1.658082 0.293385
H -3.299968 -0.472054 1.538078
H -6.926929 -0.300909 1.587968
H -5.430055 -0.490605 2.567953
H -5.911062 -1.772997 1.393189
H -6.106111 1.875312 0.883046
H -4.531428 1.694254 1.730486
H -4.579825 2.053575 -0.040032
H -6.823341 0.135116 -0.786404
H -5.790306 -1.308894 -1.066908
H -5.264984 0.317885 -1.651541


