%chk=000218954.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218954

0 1
O -3.420392 0.414871 0.649453
O -4.559264 1.487996 -1.033571
N -4.815420 2.094455 1.202170
C -1.253032 -0.396980 0.073381
C 1.601420 0.095565 -0.565825
C -0.707661 1.031788 -0.111181
C -0.434504 -1.404757 -0.755349
C 0.776951 1.103320 0.262418
C 1.051532 -1.334761 -0.383211
C -2.741667 -0.450137 -0.342007
C 3.066593 0.160014 -0.190201
C 4.015649 0.521080 -1.159033
C 3.496210 -0.135333 1.113032
C -3.346877 -1.758180 -0.200182
C 5.372171 0.585212 -0.828539
C 4.852851 -0.070386 1.440245
C 5.794546 0.289816 0.471002
C -4.316816 1.341612 0.146082
C -3.863503 -2.839915 -0.080411
H -1.183549 -0.669297 1.156082
H 1.487739 0.369320 -1.646475
H -1.290978 1.734384 0.516483
H -0.851522 1.366565 -1.156500
H -0.562632 -1.203490 -1.836296
H -0.811743 -2.432267 -0.588648
H 1.160889 2.127359 0.094673
H 0.904796 0.905909 1.343653
H 1.194580 -1.668268 0.662275
H 1.631497 -2.040054 -1.007987
H -2.917782 -0.029171 -1.366969
H 3.698266 0.753523 -2.173777
H 2.770345 -0.416119 1.873837
H 6.101296 0.866394 -1.586472
H 5.177418 -0.300952 2.453415
H 6.850205 0.340054 0.727200
H -4.307288 -3.768667 0.016475
H -4.652673 1.800570 2.153670
H -5.626153 2.674127 1.038189


%chk=000218954-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218954

0 1
O -3.576327 0.388193 0.674190
O -4.124364 1.754935 -1.182365
N -4.913570 2.194875 0.985130
C -1.304923 -0.466572 0.153703
C 1.585532 0.088580 -0.512686
C -0.761544 0.978915 0.034681
C -0.474091 -1.427891 -0.735442
C 0.743365 1.046668 0.377965
C 1.030663 -1.359538 -0.389268
C -2.806270 -0.527674 -0.233396
C 3.076855 0.170908 -0.197511
C 3.999486 0.632837 -1.170714
C 3.580551 -0.203372 1.077451
C -3.397055 -1.868096 -0.105540
C 5.381574 0.720788 -0.885354
C 4.959485 -0.118077 1.368353
C 5.867789 0.345192 0.387354
C -4.208362 1.483644 0.041162
C -3.876672 -2.997990 0.000341
H -1.213817 -0.797373 1.209249
H 1.440937 0.407116 -1.567236
H -1.328209 1.651561 0.704772
H -0.924632 1.343068 -1.000899
H -0.616437 -1.149390 -1.801396
H -0.840935 -2.464870 -0.621467
H 1.112092 2.083637 0.261418
H 0.892070 0.774882 1.443332
H 1.186984 -1.723282 0.646869
H 1.602940 -2.035401 -1.053019
H -2.938663 -0.143003 -1.266378
H 3.629443 0.926829 -2.161217
H 2.890905 -0.564772 1.850419
H 6.075811 1.081023 -1.653372
H 5.327557 -0.411972 2.358277
H 6.938208 0.411710 0.612490
H -4.304919 -3.979581 0.088915
H -4.945238 1.876421 1.950609
H -5.424719 3.022272 0.691681


