%chk=000184691.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184691

0 1
O -2.010003 2.877158 0.083399
O -3.469710 -1.455003 0.766036
N 0.851733 1.712570 -0.001501
N 1.213216 -0.533914 0.253397
N -1.197847 -1.170895 0.562686
N -2.751612 0.720064 0.427100
C 3.274046 0.940656 -0.103066
C 3.812579 0.166356 -1.324851
C 4.012309 0.512451 1.183078
C 5.323830 0.380477 -1.473117
C 5.523302 0.725964 1.031675
C 6.071919 -0.018953 -0.193429
C 1.800925 0.691802 0.049593
C -0.406844 1.110877 0.179247
C -0.153193 -0.277497 0.337377
C -1.722336 1.704124 0.209106
C -0.943851 -2.640506 0.654995
C -2.546190 -0.684547 0.584532
C -4.178096 1.186803 0.430751
C -0.780610 -3.260883 -0.740413
C -4.799803 1.055028 -0.967305
C -0.558091 -4.765784 -0.636088
C -6.237370 1.564076 -0.966508
H 3.453899 2.034006 -0.268384
H 3.286046 0.484596 -2.242784
H 3.591742 -0.914941 -1.204308
H 3.798450 -0.556284 1.394122
H 3.628085 1.077211 2.051797
H 5.535686 1.438801 -1.718050
H 5.700673 -0.211342 -2.329087
H 6.041001 0.378183 1.946032
H 5.748055 1.806351 0.947018
H 5.982443 -1.111667 -0.035555
H 7.152395 0.186717 -0.307828
H 0.984096 2.700094 -0.136231
H -1.800977 -3.106129 1.197549
H -0.025011 -2.795686 1.266173
H -4.190772 2.249076 0.770339
H -4.747598 0.582444 1.173568
H -1.677503 -3.051144 -1.357004
H 0.073248 -2.785175 -1.265894
H -4.196696 1.621134 -1.705132
H -4.772521 -0.005112 -1.292564
H -1.403801 -5.270277 -0.153243
H -0.438138 -5.213545 -1.630090
H 0.344489 -5.005172 -0.061256
H -6.294497 2.621859 -0.683081
H -6.686871 1.469571 -1.962295
H -6.868625 0.998509 -0.270608


%chk=000184691-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184691

0 1
O -2.029110 2.935701 0.057417
O -3.496410 -1.518215 0.670359
N 0.835659 1.718872 0.032352
N 1.198730 -0.509345 0.277311
N -1.189632 -1.152958 0.523675
N -2.748023 0.695232 0.386193
C 3.264390 0.943390 -0.055028
C 3.810395 0.248458 -1.339565
C 4.040603 0.448406 1.201805
C 5.334462 0.457383 -1.490290
C 5.564308 0.655424 1.042220
C 6.099944 -0.029450 -0.237260
C 1.787153 0.708734 0.090986
C -0.424178 1.130940 0.190638
C -0.162949 -0.238680 0.338264
C -1.740922 1.705404 0.196933
C -0.906505 -2.603642 0.654242
C -2.533563 -0.708677 0.531870
C -4.166314 1.149038 0.388446
C -0.855363 -3.321572 -0.712603
C -4.799605 1.097670 -1.019286
C -0.559164 -4.826118 -0.540663
C -6.264047 1.583512 -0.990416
H 3.433083 2.037569 -0.157280
H 3.278485 0.636558 -2.229713
H 3.579502 -0.832266 -1.271305
H 3.815298 -0.625942 1.345506
H 3.671864 0.977901 2.101404
H 5.545630 1.535370 -1.651340
H 5.694435 -0.075169 -2.391503
H 6.086989 0.262585 1.935446
H 5.787053 1.742014 0.995143
H 5.980060 -1.128066 -0.140650
H 7.183413 0.167056 -0.350875
H 1.000006 2.716663 -0.100139
H -1.705890 -3.035930 1.279260
H 0.062757 -2.701332 1.173657
H -4.167709 2.185211 0.767208
H -4.723228 0.494696 1.079360
H -1.825192 -3.183838 -1.226261
H -0.074118 -2.850414 -1.338726
H -4.205503 1.730868 -1.704867
H -4.755225 0.058611 -1.395730
H -1.339448 -5.318968 0.069013
H -0.525719 -5.336451 -1.519752
H 0.415167 -4.988386 -0.042464
H -6.331900 2.628538 -0.634163
H -6.714441 1.541864 -1.998426
H -6.879631 0.954250 -0.320509


