%chk=000219621.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219621

0 1
O -5.334112 1.359448 -0.043219
N -6.476632 -0.653248 -0.011210
N -7.739234 -0.009650 -0.030703
C 2.257716 0.380825 -0.014192
C 1.022471 -0.529640 0.010965
C 3.557076 -0.435279 0.014153
C -0.275728 0.288058 -0.017209
C 4.791958 0.475658 -0.011066
C -1.512315 -0.620863 0.007886
C 6.091429 -0.339906 0.017188
C -2.803870 0.203773 -0.020444
C 7.327384 0.570471 -0.007968
C -4.046333 -0.696578 0.004140
C 8.624017 -0.235844 0.020006
C -5.310804 0.152055 -0.020087
H 2.235124 1.021142 -0.917164
H 2.230879 1.075658 0.847416
H 1.045602 -1.169188 0.914262
H 1.049703 -1.223530 -0.851167
H 3.584558 -1.129551 -0.847678
H 3.580339 -1.074955 0.917369
H -0.297788 0.929310 -0.919921
H -0.301907 0.983559 0.844298
H 4.764693 1.170193 0.850658
H 4.768860 1.115701 -0.914114
H -1.485038 -1.314189 -0.854703
H -1.489122 -1.259806 0.911625
H 6.120387 -1.034586 -0.844070
H 6.116195 -0.980152 0.919773
H -2.836516 0.905645 0.838323
H -2.832168 0.851853 -0.920517
H 7.304911 1.210412 -0.911722
H 7.300705 1.264920 0.854491
H -4.029369 -1.334570 0.910092
H -4.027239 -1.385550 -0.863467
H 8.696087 -0.852952 0.922749
H 9.499873 0.422230 0.001720
H 8.700236 -0.907530 -0.842541
H -6.434435 -1.670700 0.007679
H -8.268384 -0.301864 -0.857440
H -8.278013 -0.270779 0.800212


%chk=000219621-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219621

0 1
O -5.608961 0.736650 -1.240340
N -6.480931 -0.513691 0.508967
N -7.773825 0.075192 0.455697
C 2.233865 0.333390 -0.023991
C 0.999825 -0.596011 -0.058609
C 3.576479 -0.431729 -0.008189
C -0.342533 0.169522 -0.070844
C 4.810947 0.497491 0.022403
C -1.575690 -0.761022 -0.109074
C 6.153982 -0.266960 0.039917
C -2.912571 0.011539 -0.129069
C 7.388042 0.663629 0.068659
C -4.141525 -0.928713 -0.160995
C 8.725670 -0.107641 0.086353
C -5.448737 -0.158262 -0.356541
H 2.207912 1.009347 -0.904276
H 2.175028 0.987852 0.871003
H 1.027413 -1.274204 0.820164
H 1.057680 -1.247948 -0.955489
H 3.634310 -1.088063 -0.901898
H 3.603661 -1.105946 0.873597
H -0.370204 0.848262 -0.948462
H -0.401195 0.820393 0.826580
H 4.752654 1.155017 0.915280
H 4.784485 1.170661 -0.860160
H -1.515549 -1.411076 -1.007377
H -1.548545 -1.440245 0.769140
H 6.213683 -0.925203 -0.852331
H 6.182890 -0.939196 0.923198
H -2.975189 0.670821 0.760127
H -2.959507 0.672124 -1.015179
H 7.358047 1.334731 -0.814083
H 7.327194 1.321134 0.960087
H -4.178148 -1.549782 0.756212
H -4.036805 -1.624340 -1.017903
H 8.792076 -0.764582 0.974318
H 9.591113 0.580135 0.109338
H 8.825960 -0.747366 -0.810927
H -6.354679 -1.232666 1.222610
H -8.195236 -0.078877 -0.471943
H -7.711888 1.085635 0.648433


