%chk=000205787.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205787

0 1
O -4.772116 2.430393 0.252066
N -5.492075 0.335886 0.803517
N 3.044519 -0.651845 0.606843
N 0.864596 -0.684817 0.950926
N -6.407681 -1.957910 -1.191712
N 1.854622 -0.018655 0.511140
N -8.676672 -1.880297 -0.357824
N 8.721582 -0.670981 -1.155460
N 8.247100 -1.397725 1.107723
C -6.920864 0.688971 0.651033
C -7.499582 0.216577 -0.694413
C -3.089330 0.768231 0.658430
C -4.492999 1.277462 0.541371
C -2.681657 -0.022418 1.742617
C -2.168038 1.139164 -0.331262
C -0.445180 -0.106739 0.821954
C -7.599058 -1.291698 -0.760386
C -1.363546 -0.466055 1.829021
C -0.846204 0.700276 -0.258501
C 4.235493 0.059695 0.248438
C 6.634703 -0.013036 -0.038012
C 5.445273 -0.660353 0.308755
C 4.220130 1.407352 -0.155101
C 6.633086 1.332776 -0.430043
C 5.423583 2.031646 -0.485277
C 7.922347 -0.777316 0.021542
H -7.033892 1.798958 0.731910
H -7.490835 0.233335 1.493896
H -8.519982 0.651169 -0.814250
H -6.906424 0.626198 -1.535571
H -5.280769 -0.656862 0.879502
H -3.391212 -0.283289 2.529818
H -2.488285 1.784633 -1.153113
H -1.037112 -1.084388 2.666253
H -0.129007 0.986049 -1.027562
H 5.473918 -1.697394 0.644958
H 3.281523 1.961510 -0.200594
H 7.569396 1.834706 -0.673196
H 5.418908 3.080607 -0.785817
H 3.136533 -1.594054 1.014664
H -5.740464 -1.426038 -1.730920
H -6.496611 -2.906551 -1.525613
H -8.751620 -2.891011 -0.380546
H 8.265888 -0.405153 -2.015538
H 9.450075 -1.354539 -1.293199
H 9.125041 -1.902069 1.166036


%chk=000205787-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205787

0 1
O -4.565632 2.623132 -0.333599
N -5.454112 0.569163 0.308134
N 3.141839 -0.606976 0.296585
N 0.941168 -0.783576 0.355379
N -8.835267 -2.168242 -0.313886
N 1.948402 0.046572 0.199732
N -6.627879 -1.878427 0.614872
N 9.225236 -0.368731 -0.270724
N 7.935527 -2.115840 0.799566
C -6.850649 0.997659 0.207120
C -7.683582 -0.014393 -0.615108
C -3.018226 0.801086 0.114365
C -4.399703 1.402463 0.011684
C -2.767048 -0.573403 0.369468
C -1.913126 1.675946 -0.071156
C -0.346069 -0.173359 0.260267
C -7.682886 -1.435128 -0.043941
C -1.445907 -1.053816 0.440670
C -0.593010 1.206636 0.000496
C 4.372484 0.069719 0.173743
C 6.823749 -0.059703 0.150822
C 5.563530 -0.688150 0.265861
C 4.432472 1.474915 -0.036453
C 6.887146 1.344973 -0.045246
C 5.691542 2.094854 -0.137774
C 8.050310 -0.922869 0.247326
H -6.864962 1.991880 -0.272441
H -7.293690 1.100612 1.218554
H -8.725625 0.354166 -0.686232
H -7.281003 -0.058053 -1.645844
H -5.370595 -0.427795 0.579159
H -3.590101 -1.284086 0.504501
H -2.136222 2.728475 -0.275215
H -1.235637 -2.110862 0.633554
H 0.253357 1.884955 -0.141921
H 5.552618 -1.770241 0.439681
H 3.506586 2.050258 -0.107367
H 7.848815 1.868979 -0.077537
H 5.742982 3.179787 -0.280410
H 3.115711 -1.623942 0.470731
H -9.619245 -1.747653 -0.808489
H -8.912698 -3.147129 -0.041414
H -6.709873 -2.855601 0.955973
H 9.211248 0.486270 -0.821602
H 10.103285 -0.878799 -0.204099
H 8.821840 -2.661328 0.800719


