%chk=000209570.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209570

0 1
O -0.444408 -3.249463 0.066116
N 2.313739 -0.780486 0.404324
N -0.991347 -0.304318 -0.031130
C 0.342646 -2.252637 0.724695
C 1.506525 -1.870195 -0.218434
C 3.354760 -0.259912 -0.538244
C -0.545223 -1.067319 1.164276
C 4.236038 0.762692 0.196043
C 5.255698 1.398448 -0.758043
C -2.271550 0.311226 -0.020897
C 6.140845 2.412896 -0.038075
C -3.354491 -0.237845 0.697583
C -2.481001 1.439828 -0.847828
C -4.621861 0.330486 0.577690
C -3.757473 1.988194 -0.954190
C -4.832533 1.442312 -0.243958
H 0.718130 -2.798096 1.622263
H 1.096548 -1.515029 -1.189946
H 2.088626 -2.787349 -0.455355
H 3.984527 -1.063099 -0.978414
H 2.828160 0.232374 -1.386005
H -1.421393 -1.471890 1.723129
H 0.024951 -0.421239 1.869720
H 3.597064 1.548357 0.648105
H 4.761193 0.282518 1.043542
H 2.768962 -1.138336 1.252541
H 5.886880 0.612348 -1.217270
H 4.728970 1.893765 -1.597711
H -0.234552 0.289982 -0.389531
H 6.862962 2.866982 -0.726291
H 5.550149 3.226241 0.399442
H 6.710699 1.948911 0.775058
H -1.006463 -2.838316 -0.631569
H -3.204006 -1.108897 1.332048
H -1.656202 1.874363 -1.404480
H -5.456624 -0.099159 1.131298
H -3.917959 2.854475 -1.595761
H -5.822883 1.878588 -0.330939


%chk=000209570-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000209570

0 1
O -0.910206 -2.898227 -0.042210
N 2.166968 -0.713110 0.300050
N -0.828634 0.141943 1.009602
C 0.154623 -2.169251 0.672278
C 1.142815 -1.565473 -0.352112
C 3.125311 -0.087061 -0.645979
C -0.408575 -1.102656 1.651649
C 4.179930 0.751930 0.100479
C 5.209284 1.404722 -0.849793
C -2.074420 0.393333 0.425011
C 6.267096 2.242521 -0.099894
C -3.165863 -0.527136 0.499341
C -2.280534 1.629377 -0.264449
C -4.407872 -0.206762 -0.091578
C -3.522823 1.927973 -0.854087
C -4.602896 1.014136 -0.776410
H 0.648850 -2.961863 1.267125
H 0.568409 -0.924388 -1.051163
H 1.572513 -2.398526 -0.956778
H 3.643240 -0.844352 -1.287288
H 2.548825 0.565330 -1.332120
H -1.247398 -1.550551 2.214442
H 0.382396 -0.852792 2.381527
H 3.664607 1.532399 0.694276
H 4.716839 0.105172 0.827556
H 2.679272 -1.239685 1.025053
H 5.714409 0.614588 -1.442113
H 4.676501 2.048129 -1.579413
H -0.064764 0.788983 0.804623
H 6.992969 2.695851 -0.799468
H 5.792437 3.061661 0.472334
H 6.833386 1.617710 0.616373
H -1.465615 -2.243415 -0.541633
H -3.056745 -1.477029 1.032485
H -1.457062 2.352946 -0.323997
H -5.230530 -0.927985 -0.016801
H -3.650633 2.883313 -1.376916
H -5.568009 1.249647 -1.236201


