%chk=000278305.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278305

0 1
O 3.511484 -2.506358 -0.737713
N 0.051482 -1.393694 0.068722
N -2.679301 -0.446727 -0.148588
C -0.462704 -0.787201 -1.203405
C -1.071347 -2.090178 0.779806
C -1.563472 0.239932 -0.871236
C -2.175129 -1.067233 1.116099
C 1.176281 -2.342106 -0.199706
C 2.479090 -1.538763 -0.432428
C -3.938512 0.217919 -0.098523
C 2.976393 -0.824229 0.828712
C 3.929232 0.293575 0.509110
C -4.294720 1.158793 -1.093379
C -4.902714 -0.142388 0.872359
C 5.140694 0.013348 -0.144504
C 3.624801 1.614334 0.867805
C -5.575309 1.707706 -1.112214
C -6.177649 0.418454 0.835468
C -6.524211 1.347265 -0.150624
C 6.036721 1.043655 -0.431609
C 4.527124 2.643038 0.578633
C 5.732676 2.361376 -0.069788
H -0.859538 -1.544372 -1.914906
H 0.378729 -0.264412 -1.707817
H -0.674691 -2.517987 1.725856
H -1.503995 -2.927983 0.190111
H -1.136987 1.072208 -0.267150
H -1.949646 0.679451 -1.819078
H -3.011828 -1.591561 1.631782
H -1.779985 -0.298709 1.817961
H 0.996056 -3.020529 -1.059525
H 1.323608 -3.006245 0.681205
H 2.380023 -0.839565 -1.290237
H 3.481751 -1.564453 1.488869
H 2.099044 -0.453626 1.403417
H -3.577161 1.448385 -1.858159
H -4.660278 -0.870186 1.643847
H 3.424026 -2.836424 -1.648386
H 5.366061 -1.017742 -0.426322
H 2.687825 1.842210 1.371322
H -5.837453 2.428393 -1.886749
H -6.911919 0.128835 1.587113
H -7.518525 1.782050 -0.170288
H 6.975157 0.821922 -0.936384
H 4.287944 3.666589 0.860984
H 6.433173 3.162633 -0.292060


%chk=000278305-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000278305

0 1
O 3.568826 -2.527904 -0.718184
N 0.017366 -1.429593 0.048099
N -2.691141 -0.404879 -0.082110
C -0.537993 -0.888796 -1.215770
C -1.068331 -2.051836 0.844118
C -1.632078 0.158871 -0.939529
C -2.154889 -1.011081 1.159294
C 1.179118 -2.322181 -0.156922
C 2.493651 -1.549197 -0.434823
C -3.978123 0.194789 -0.074205
C 2.950519 -0.730841 0.786842
C 3.983697 0.342688 0.474338
C -4.256705 1.386082 -0.811744
C -5.058083 -0.403902 0.645823
C 5.285035 -0.004065 0.021273
C 3.664231 1.716714 0.626579
C -5.556094 1.937220 -0.835403
C -6.347251 0.161950 0.623189
C -6.614919 1.337013 -0.119359
C 6.236419 0.997849 -0.272557
C 4.615097 2.722113 0.333669
C 5.906409 2.365295 -0.117240
H -0.975316 -1.707699 -1.842853
H 0.269404 -0.408727 -1.797019
H -0.642740 -2.427560 1.792810
H -1.535287 -2.914181 0.303980
H -1.166376 1.059681 -0.475032
H -2.070907 0.457679 -1.907083
H -2.965749 -1.495634 1.723905
H -1.711646 -0.221292 1.808744
H 1.003575 -3.049334 -0.993579
H 1.332727 -2.920987 0.760795
H 2.365711 -0.874950 -1.308575
H 3.352595 -1.457494 1.520987
H 2.043265 -0.274265 1.223146
H -3.458664 1.904503 -1.351022
H -4.901055 -1.333536 1.202171
H 3.364506 -2.999620 -1.565686
H 5.532751 -1.062963 -0.105932
H 2.664320 1.999223 0.979871
H -5.734139 2.853964 -1.410021
H -7.153668 -0.328343 1.181316
H -7.619985 1.770893 -0.136567
H 7.236832 0.713554 -0.619658
H 4.350584 3.778480 0.460192
H 6.646801 3.141698 -0.341865


