%chk=000183111.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183111

0 1
O -2.030125 -1.518394 0.362834
O -7.137556 2.259838 -0.028592
O 3.623788 1.484844 -0.234391
O 8.656280 -2.526104 0.184919
N -4.257295 2.810868 0.309411
N 0.758293 -2.402986 0.618757
N -1.337761 0.671713 0.405596
N 3.951413 -0.775310 0.121094
N -6.802043 0.126186 0.702695
N 6.530001 1.867104 -0.500855
N 6.770313 -0.345382 -0.123177
N 7.864508 1.648497 -0.546866
N -6.521132 -1.981616 -1.833199
N 9.268646 -0.336488 -0.284851
N -8.146583 -3.265272 -0.585064
C 0.317918 -1.097288 0.389819
C -2.633154 1.245421 0.379235
C -4.882612 1.565968 0.352309
C -3.877326 0.575136 0.393285
C -2.883224 2.641502 0.331182
C 2.587032 -1.130118 0.269106
C 1.454957 -0.290834 0.163800
C 2.138873 -2.445244 0.556494
C -1.107378 -0.710715 0.381052
C -6.347827 1.383128 0.311179
C -4.924903 4.114224 0.264072
C -0.081622 -3.568382 0.907403
C -8.223883 -0.253099 0.541804
C -8.497978 -0.874806 -0.837579
C 4.373613 0.523805 -0.123230
C 5.856015 0.671088 -0.245185
C -7.699179 -2.142776 -1.049986
C 8.002129 0.275382 -0.311620
C 5.971629 3.208309 -0.705069
C 9.519222 -1.715394 -0.036411
H -4.008134 -0.492226 0.422929
H -2.181968 3.452859 0.311968
H 1.479012 0.762124 -0.059291
H 2.718810 -3.337388 0.704729
H -0.553152 1.324632 0.430003
H -4.465531 4.771235 -0.493777
H -4.879253 4.617118 1.246546
H -6.004260 3.995359 -0.003174
H 0.215337 -4.434659 0.291327
H -1.154606 -3.349341 0.686465
H -0.013543 -3.850667 1.973668
H -8.862841 0.655329 0.669226
H -8.493663 -0.972348 1.349253
H 4.643409 -1.534230 0.205631
H -6.159612 -0.608985 0.982930
H -8.305589 -0.134466 -1.642160
H -9.583759 -1.114522 -0.915674
H 4.859887 3.173620 -0.619463
H 6.237298 3.596396 -1.706889
H 6.362970 3.916409 0.050012
H -6.125094 -1.057746 -1.924169
H -5.821403 -2.706973 -1.806733
H 10.051904 0.301390 -0.461107
H -7.624580 -4.122187 -0.730340
H 10.602009 -1.930040 -0.075383


%chk=000183111-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183111

0 1
O -2.104085 -1.566415 0.316565
O -7.197092 2.463781 -0.199224
O 3.554203 1.760850 -0.333773
O 8.277910 -2.799182 0.071339
N -4.327254 2.877390 0.585495
N 0.774210 -2.302801 0.691286
N -1.454662 0.660796 0.650926
N 3.877080 -0.548501 0.063933
N -6.928124 0.228749 0.420372
N 6.568391 1.869651 -0.653833
N 6.569916 -0.339041 -0.238093
N 7.912393 1.491714 -0.714537
N -6.095335 -2.234845 -1.278989
N 9.024543 -0.603503 -0.428431
N -8.120681 -3.452978 -0.709228
C 0.266125 -1.011656 0.466308
C -2.731319 1.262538 0.602252
C -4.982078 1.647689 0.424586
C -4.001911 0.629518 0.429184
C -2.961259 2.650726 0.703328
C 2.546144 -0.951364 0.273833
C 1.358764 -0.157050 0.196255
C 2.156753 -2.270521 0.585356
C -1.180365 -0.693331 0.471905
C -6.442642 1.509364 0.198369
C -4.955083 4.206444 0.716357
C 0.016269 -3.500769 1.102950
C -8.275847 -0.195987 0.022366
C -8.273729 -1.076547 -1.261896
C 4.303735 0.733852 -0.216970
C 5.785306 0.773037 -0.370362
C -7.478126 -2.365371 -1.080980
C 7.840978 0.142277 -0.452973
C 6.194712 3.270887 -0.881693
C 9.184182 -1.973128 -0.180166
H -4.144513 -0.438916 0.293449
H -2.261853 3.473221 0.841654
H 1.336504 0.892247 -0.087218
H 2.760446 -3.163304 0.736362
H -0.659857 1.273966 0.840776
H -4.326376 4.958986 0.211428
H -5.066101 4.481985 1.780954
H -5.947838 4.169052 0.244325
H 0.479565 -4.394307 0.652778
H -1.020657 -3.397571 0.753537
H 0.021502 -3.605373 2.203121
H -8.863933 0.720062 -0.155849
H -8.742638 -0.764333 0.847117
H 4.631512 -1.248376 0.119912
H -6.291334 -0.480967 0.786262
H -7.879909 -0.480988 -2.106931
H -9.313411 -1.361949 -1.489830
H 5.102005 3.348289 -0.781954
H 6.510889 3.576912 -1.892209
H 6.695617 3.910763 -0.137177
H -5.698955 -1.372445 -1.650347
H -5.473218 -3.037384 -1.187772
H 9.870021 -0.057855 -0.618143
H -7.496604 -4.277435 -0.572624
H 10.263811 -2.247055 -0.236941


