%chk=000203054.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203054

2 1
N -0.142905 -1.737524 0.344627
N 2.979590 0.610895 -0.128633
C -2.321255 -0.667755 0.838140
C -2.263768 -0.982254 -0.686832
C -0.929334 -0.971857 1.421817
C -0.836362 -1.466714 -1.000716
C -2.744757 0.816926 1.046668
C -2.652047 0.291979 -1.494971
C -4.158668 0.974433 0.423543
C -4.103766 0.661632 -1.085218
C 1.330074 -1.318483 0.315973
C -1.809618 1.709703 0.254967
C -1.761902 1.438799 -1.058190
C -0.197140 -3.221950 0.645797
C 1.516689 0.180435 0.026235
C 3.813570 0.256040 1.116046
C 3.581053 -0.077492 -1.375732
C 2.985247 2.113605 -0.335035
C 3.258803 0.815868 2.408011
C 5.014540 0.324311 -1.654232
H -3.084986 -1.320994 1.326056
H -2.997568 -1.788454 -0.930582
H -0.400824 -0.033761 1.699873
H -1.003456 -1.571517 2.356804
H -0.847834 -2.384025 -1.631046
H -0.275901 -0.700477 -1.580792
H -2.767492 1.073490 2.126179
H -2.595757 0.099891 -2.586570
H -4.522587 2.008632 0.589915
H -4.888663 0.323433 0.938390
H -4.804505 -0.151631 -1.348522
H -4.441492 1.538981 -1.673349
H 1.860381 -1.940182 -0.449660
H 1.791973 -1.585780 1.301508
H -1.315692 2.528249 0.757006
H -1.224630 2.000584 -1.807564
H 0.250461 -3.474440 1.626124
H -1.250774 -3.579617 0.679771
H 0.315434 -3.831846 -0.122347
H 1.044780 0.787702 0.846328
H 0.951360 0.470105 -0.901563
H 3.921158 -0.851633 1.175052
H 4.853177 0.650640 0.955124
H 3.521681 -1.182457 -1.233950
H 2.945754 0.176726 -2.259561
H 2.519831 2.656046 0.510275
H 4.022462 2.504815 -0.420441
H 2.461219 2.412813 -1.262254
H 2.288419 0.407821 2.707175
H 3.189565 1.915102 2.423743
H 3.949527 0.578257 3.246926
H 5.728132 0.043913 -0.865985
H 5.150319 1.396010 -1.865737
H 5.383781 -0.189091 -2.567689


%chk=000203054-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203054

2 1
N -0.146577 -1.387021 0.427954
N 3.285491 0.560549 0.022542
C -2.424817 -0.524064 0.798059
C -2.296173 -0.976559 -0.710689
C -0.980597 -0.442545 1.337620
C -0.785852 -1.162890 -0.972161
C -3.184003 0.848547 0.863316
C -2.958545 0.104082 -1.635080
C -4.609668 0.592054 0.257964
C -4.475667 0.152741 -1.234449
C 1.373967 -1.143510 0.455691
C -2.479611 1.859256 -0.029292
C -2.359571 1.469692 -1.332745
C -0.379941 -2.842615 0.854223
C 1.782521 0.342318 0.316571
C 4.191114 -0.104634 1.104577
C 3.645586 -0.026039 -1.385597
C 3.515654 2.076770 0.007223
C 3.940976 0.357106 2.543687
C 5.033069 0.345827 -1.922096
H -3.007083 -1.265852 1.372872
H -2.827179 -1.931999 -0.869041
H -0.593577 0.578918 1.193557
H -0.857012 -0.756251 2.386689
H -0.532404 -2.023042 -1.612943
H -0.352282 -0.238984 -1.389871
H -3.268914 1.192630 1.908727
H -2.852504 -0.179644 -2.696644
H -5.201843 1.517604 0.342951
H -5.129641 -0.178686 0.856692
H -4.931729 -0.840860 -1.401103
H -4.995731 0.860358 -1.900328
H 1.783398 -1.759584 -0.362202
H 1.734800 -1.555746 1.413395
H -2.193840 2.850931 0.338013
H -1.968646 2.115276 -2.126765
H -0.059619 -2.971771 1.899651
H -1.450044 -3.073502 0.766214
H 0.194904 -3.510704 0.193826
H 1.574334 0.888075 1.249846
H 1.236146 0.842564 -0.501479
H 4.050640 -1.194358 0.997332
H 5.224681 0.127980 0.802427
H 3.562353 -1.122389 -1.295500
H 2.857820 0.338730 -2.069219
H 3.119694 2.519753 0.931948
H 4.593414 2.276315 -0.061229
H 3.001741 2.509951 -0.864989
H 2.929617 0.121086 2.918338
H 4.138551 1.430818 2.694535
H 4.651538 -0.184324 3.193136
H 5.860958 -0.008371 -1.286168
H 5.153877 1.424050 -2.111906
H 5.151523 -0.160137 -2.897176


