%chk=000189021.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189021

0 1
O 0.037387 2.014212 -0.194151
N -0.347769 -0.230470 0.131177
N 1.469353 -1.807772 0.265019
N 3.733527 -1.079715 0.193363
C -1.789288 -0.012749 0.155618
C 0.173124 -1.547657 0.253122
C 0.524647 0.916289 -0.034752
C -2.499645 0.197702 -1.046042
C 1.952409 0.591328 0.004194
C 2.393574 -0.754961 0.154698
C -2.439941 -0.009638 1.398933
C -3.889103 0.385409 -0.966298
C -0.790770 -2.679295 0.366721
C -1.800459 0.248508 -2.361317
C 2.917813 1.615564 -0.108150
C -3.821402 0.180321 1.449398
C -4.543691 0.373668 0.266727
C 4.261164 1.284576 -0.068667
C 4.623584 -0.077948 0.084042
H -1.868528 -0.142488 2.317297
H -4.460907 0.551501 -1.878961
H -1.367037 -2.632785 1.304645
H -0.263968 -3.652760 0.360982
H -1.513294 -2.692914 -0.464596
H -1.146182 -0.619653 -2.519873
H -2.492318 0.294103 -3.212005
H -1.162511 1.149581 -2.416881
H 2.583423 2.651501 -0.223524
H -4.334090 0.186166 2.410001
H -5.622332 0.523556 0.308396
H 5.033219 2.045286 -0.151138
H 5.682412 -0.373465 0.119720


%chk=000189021-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189021

0 1
O 0.016087 2.064136 -0.159571
N -0.342560 -0.246881 0.126435
N 1.484162 -1.826891 0.245148
N 3.727529 -1.090884 0.189992
C -1.784601 -0.016662 0.160499
C 0.185489 -1.555487 0.231353
C 0.504622 0.906201 -0.018696
C -2.497686 0.181549 -1.051939
C 1.944770 0.593736 0.015243
C 2.390811 -0.761709 0.151354
C -2.430138 0.014118 1.414472
C -3.896783 0.389650 -0.957377
C -0.790340 -2.704392 0.324247
C -1.789133 0.199533 -2.391619
C 2.904282 1.633550 -0.086476
C -3.823541 0.225622 1.484561
C -4.558015 0.410421 0.291145
C 4.266217 1.297763 -0.046727
C 4.620505 -0.075047 0.093191
H -1.836740 -0.114310 2.326471
H -4.470286 0.545016 -1.878683
H -1.371654 -2.670306 1.262798
H -0.211668 -3.637896 0.291781
H -1.520968 -2.686033 -0.504102
H -1.134525 -0.681321 -2.528232
H -2.513925 0.219890 -3.222378
H -1.148538 1.097316 -2.473237
H 2.552400 2.665023 -0.190906
H -4.326023 0.252954 2.456990
H -5.640080 0.576618 0.332251
H 5.046886 2.060573 -0.119383
H 5.675847 -0.370849 0.129091


