%chk=000298717.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298717

0 1
O 4.605835 0.082845 -0.648149
N -1.757455 0.042550 -0.417127
C 5.642485 -0.486379 0.214788
C 6.930792 -0.084557 -0.502121
C 3.293794 -0.093238 -0.295599
C 0.551431 -0.289770 0.167008
C 2.841807 -0.781243 0.839831
C 2.395008 0.501078 -1.208745
C 1.465552 -0.871733 1.058985
C 1.032751 0.397014 -0.969944
C 8.154222 -0.591645 0.250448
C -3.163930 -0.037625 -0.177463
C -5.956582 -0.078945 0.104356
C -0.893227 -0.409425 0.438761
C -5.145711 0.352568 1.163786
C -5.358375 -0.484495 -1.102660
C -3.755925 0.371408 1.030822
C -3.974528 -0.460760 -1.250693
C -7.444459 -0.104295 0.240907
H 5.500577 -1.578494 0.261473
H 5.551524 -0.036885 1.217122
H 6.916576 -0.478442 -1.539517
H 6.966175 1.019257 -0.611021
H 3.530933 -1.238175 1.540400
H 2.785567 1.025982 -2.077751
H 1.105241 -1.406046 1.939198
H 0.316120 0.848200 -1.664453
H 8.160157 -1.685028 0.333162
H 9.078153 -0.301930 -0.266290
H 8.210008 -0.180959 1.265617
H -1.143648 -0.907135 1.392211
H -5.598247 0.677439 2.098907
H -5.983142 -0.815400 -1.930678
H -3.137034 0.720311 1.854326
H -3.509915 -0.763009 -2.189203
H -7.851936 -1.098585 0.010019
H -7.782822 0.154930 1.252127
H -7.916274 0.609914 -0.449638


%chk=000298717-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298717

0 1
O 4.678997 0.067815 -0.778073
N -1.809606 0.004952 -0.562946
C 5.696241 -0.409890 0.180261
C 7.065657 -0.142602 -0.448144
C 3.330211 -0.076505 -0.438604
C 0.535470 -0.272588 0.037648
C 2.861458 -0.648564 0.772308
C 2.405038 0.398511 -1.409828
C 1.472183 -0.740554 0.996190
C 1.028882 0.301319 -1.172962
C 8.214747 -0.608927 0.472560
C -3.195938 -0.042953 -0.259561
C -6.032169 -0.107154 0.181527
C -0.903606 -0.386382 0.302896
C -5.131623 0.147693 1.247191
C -5.485532 -0.312265 -1.114823
C -3.736480 0.178990 1.039943
C -4.097116 -0.266234 -1.337554
C -7.534159 -0.133566 0.405035
H 5.548421 -1.494223 0.367197
H 5.585528 0.135308 1.141000
H 7.118686 -0.663851 -1.421887
H 7.156890 0.939391 -0.657321
H 3.557430 -1.018189 1.530511
H 2.798700 0.834516 -2.333101
H 1.107815 -1.184845 1.931354
H 0.300472 0.659738 -1.907041
H 8.156734 -1.695438 0.672372
H 9.194656 -0.406121 0.006043
H 8.191270 -0.083438 1.445768
H -1.178470 -0.851183 1.275108
H -5.530596 0.333804 2.252116
H -6.160940 -0.499777 -1.958951
H -3.067366 0.412748 1.876726
H -3.677571 -0.409316 -2.338668
H -7.979254 -1.078421 0.040429
H -7.786408 -0.033125 1.474816
H -8.037155 0.690625 -0.136336


