%chk=000201710.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201710

0 1
O -3.486711 1.671654 -2.122149
O 6.447119 0.051437 0.457909
N -0.662753 0.747401 -0.908002
C 1.570550 0.429446 0.211157
C 1.851562 1.933568 -0.028239
C 0.592540 -0.072138 -0.895458
C 0.557306 2.745977 -0.132056
C -0.366055 2.184614 -1.221164
C 2.860247 -0.398248 0.140301
C 0.970392 0.205241 1.609065
C -1.636254 0.184819 -1.896692
C 4.112811 0.192086 0.322181
C 2.786371 -1.791826 -0.065856
C -3.026228 0.719027 -1.530917
C 5.259602 -0.618233 0.273473
C 3.939880 -2.574335 -0.110049
C 5.204004 -1.999782 0.055472
C -3.792704 -0.011277 -0.479356
C -3.157067 -0.550941 0.646697
C -5.184664 -0.127324 -0.623146
C -3.910556 -1.218351 1.616833
C -5.931998 -0.803556 0.343495
C -5.294483 -1.349761 1.463151
H 2.442837 2.055420 -0.956955
H 2.475631 2.338097 0.791542
H 1.119861 -0.068005 -1.873606
H 0.305565 -1.125675 -0.682823
H 0.028141 2.740971 0.842621
H 0.789025 3.805078 -0.351480
H -1.330403 2.742337 -1.230501
H 0.090767 2.323911 -2.224259
H 1.625961 0.595512 2.394311
H -0.000390 0.712521 1.697010
H 0.802513 -0.856605 1.814876
H -1.412857 0.452995 -2.953281
H -1.634714 -0.924941 -1.844772
H 4.238459 1.256641 0.508762
H 1.816074 -2.270476 -0.183905
H 3.858894 -3.649382 -0.273860
H 6.100819 -2.605768 0.019181
H -2.076161 -0.434789 0.773110
H -5.675657 0.320654 -1.489663
H 7.226201 -0.554512 0.419646
H -3.418396 -1.633670 2.494313
H -7.010274 -0.898852 0.228958
H -5.878408 -1.874261 2.218628


%chk=000201710-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201710

0 1
O -3.515919 0.805238 -2.938751
O 6.524642 0.602365 0.110480
N -0.655416 0.375684 -0.919834
C 1.556867 0.193371 0.296256
C 1.605446 1.750662 0.318534
C 0.702036 -0.225621 -0.945134
C 0.199085 2.386130 0.256299
C -0.592761 1.859926 -0.953969
C 2.963878 -0.433050 0.152782
C 0.902029 -0.340019 1.604507
C -1.512858 -0.176354 -1.994994
C 4.143223 0.346108 0.181221
C 3.096526 -1.844869 0.008566
C -2.987586 0.268770 -1.918824
C 5.413970 -0.263069 0.067583
C 4.365755 -2.445293 -0.108056
C 5.541850 -1.661959 -0.080257
C -3.794314 0.010093 -0.680364
C -3.254106 -0.638135 0.464330
C -5.161343 0.405904 -0.675733
C -4.071250 -0.888446 1.587724
C -5.972764 0.158566 0.448097
C -5.429126 -0.491644 1.583620
H 2.185916 2.104919 -0.558170
H 2.136986 2.100027 1.224518
H 1.260859 0.069748 -1.871024
H 0.587295 -1.325215 -0.970150
H -0.369034 2.171188 1.179955
H 0.291888 3.486370 0.179964
H -1.622637 2.260311 -0.939757
H -0.111294 2.213571 -1.903258
H 1.463525 0.014331 2.488245
H -0.143631 0.001452 1.684233
H 0.902337 -1.444681 1.628885
H -1.159273 0.105633 -3.015664
H -1.482823 -1.283126 -1.923738
H 4.114556 1.432225 0.294130
H 2.205852 -2.482786 -0.007316
H 4.446413 -3.532335 -0.219678
H 6.529640 -2.132194 -0.170317
H -2.193270 -0.904141 0.475085
H -5.558709 0.899537 -1.569063
H 7.369045 0.094410 0.022873
H -3.650756 -1.387294 2.467951
H -7.024295 0.466037 0.444059
H -6.060057 -0.685645 2.458658


