%chk=000184040.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184040

0 1
O 4.972184 0.985801 -1.145687
O 5.770251 -0.107977 -0.610867
O 1.671280 1.379893 0.329230
O 1.591540 -0.474220 1.690898
O -0.782089 -1.097787 -1.075016
O -2.208854 -2.481301 0.010301
N -0.351302 0.561338 0.891187
C 3.701741 0.379754 -0.649398
C 4.551521 -0.827127 -0.109634
C 3.126312 1.375298 0.365519
C 2.764798 0.117674 -1.804094
C 4.648670 -0.999457 1.386447
C 4.407340 -2.137789 -0.851447
C 1.029845 0.369014 1.022287
C -1.242324 -0.571590 1.213113
C -2.592349 -0.043179 1.738260
C -3.366769 0.743234 0.715114
C -1.498609 -1.505628 0.017494
C -3.234609 2.137963 0.647528
C -4.229226 0.082079 -0.173040
C -3.959169 2.863406 -0.302500
C -4.951258 0.812444 -1.119701
C -0.961813 -1.834940 -2.331733
C -4.817572 2.203364 -1.187156
C -2.255468 -1.405384 -2.987643
H 3.354646 2.417841 0.058918
H 3.466010 1.206165 1.401815
H 3.309632 -0.267904 -2.676835
H 1.983844 -0.605307 -1.533040
H 2.254299 1.037592 -2.124529
H 3.649177 -1.146554 1.835988
H 5.114038 -0.129527 1.868695
H 5.257841 -1.868724 1.663028
H 4.503019 -2.003428 -1.937314
H 3.440661 -2.612001 -0.643597
H 5.194355 -2.846407 -0.558920
H -0.750380 -1.202572 2.016762
H -0.685482 1.199403 0.160072
H -2.404718 0.576375 2.643392
H -3.196141 -0.908266 2.096127
H -2.572337 2.658874 1.337926
H -4.334891 -1.003318 -0.124176
H -3.855689 3.946678 -0.350936
H -5.623194 0.296751 -1.804443
H -5.382963 2.770650 -1.924010
H -0.930171 -2.916639 -2.110320
H -0.060498 -1.515244 -2.885831
H -2.338220 -1.797477 -4.008474
H -2.338423 -0.311105 -3.041389
H -3.129385 -1.764741 -2.423573


%chk=000184040-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184040

0 1
O 5.097940 1.133198 -1.007617
O 5.782623 -0.271483 -0.856792
O 1.572734 1.438205 0.226243
O 1.596688 -0.641107 1.339734
O -0.837580 -1.414455 -1.322945
O -2.465261 -2.582966 -0.129480
N -0.394068 0.377353 0.617749
C 3.760629 0.481113 -0.626304
C 4.563810 -0.731444 -0.023741
C 3.053470 1.477364 0.314100
C 2.963920 0.194526 -1.900778
C 4.928051 -0.618889 1.458461
C 4.153400 -2.146187 -0.416450
C 0.966482 0.296554 0.778474
C -1.273211 -0.728141 0.979207
C -2.585808 -0.232470 1.666453
C -3.386124 0.747327 0.817969
C -1.609738 -1.669908 -0.200430
C -3.152879 2.145394 0.912346
C -4.370155 0.283395 -0.095474
C -3.875215 3.056998 0.108384
C -5.094359 1.193092 -0.898200
C -1.074480 -2.296723 -2.514929
C -4.847274 2.582672 -0.802081
C -2.200071 -1.732082 -3.384143
H 3.300035 2.500273 -0.017107
H 3.357133 1.342630 1.363722
H 3.621186 -0.294029 -2.638899
H 2.094508 -0.457638 -1.703051
H 2.591432 1.138907 -2.333316
H 4.039828 -0.797882 2.089105
H 5.355046 0.373320 1.685647
H 5.694384 -1.375659 1.702288
H 3.954921 -2.236598 -1.495930
H 3.244570 -2.428447 0.144479
H 4.957756 -2.856985 -0.154199
H -0.718554 -1.354134 1.705415
H -0.771597 1.157004 0.075107
H -2.294290 0.237816 2.622659
H -3.187575 -1.129187 1.894235
H -2.416816 2.521609 1.634076
H -4.571261 -0.792208 -0.165866
H -3.685840 4.132552 0.198304
H -5.856397 0.819654 -1.591660
H -5.412153 3.287690 -1.422004
H -1.309915 -3.312880 -2.153298
H -0.102896 -2.289385 -3.033993
H -2.303410 -2.345283 -4.298460
H -1.982665 -0.693673 -3.687205
H -3.161853 -1.752803 -2.845007


