%chk=000182359.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182359

0 1
O -4.910001 -3.115560 0.004837
N -1.302092 0.412742 0.000746
N -5.019160 2.447521 0.004845
C 5.029053 0.490127 -0.000149
C 3.667325 -0.217613 0.002041
C 6.184618 -0.519772 0.002787
C 2.512617 0.793264 -0.000964
C 7.546768 0.187226 0.000691
C 1.152204 0.083688 0.001356
C 8.702238 -0.822478 0.003378
C 0.008270 1.107573 -0.001671
C 10.065685 -0.116733 0.001276
C -2.507301 1.093963 0.001770
C 11.219496 -1.117073 0.003760
C -3.748389 0.324562 0.003338
C -4.967742 1.054012 0.004843
C -2.586708 2.485019 0.001667
C -3.790588 -1.094182 0.003427
C -6.218027 0.350636 0.006434
C -3.863620 3.109486 0.003306
C -5.017233 -1.736931 0.004969
C -6.249175 -1.020869 0.006501
C -6.131273 -3.890363 0.006495
H 5.109869 1.150570 -0.885174
H 5.109974 1.155825 0.880921
H 3.589055 -0.883675 -0.879142
H 3.589125 -0.878338 0.887242
H 6.105769 -1.185697 -0.878205
H 6.105809 -1.180520 0.887670
H 2.594622 1.453029 -0.887114
H 2.594789 1.458468 0.881099
H 7.627026 0.852774 0.881780
H 7.626857 0.847884 -0.884086
H 1.075015 -0.575918 0.888906
H 1.074905 -0.581428 -0.882042
H 8.624454 -1.483898 0.887562
H 8.624278 -1.488806 -0.877097
H 0.078098 1.770658 0.892875
H 0.077865 1.765255 -0.900203
H 10.146198 0.543896 -0.884106
H 10.146480 0.548623 0.883082
H -1.296820 -0.601321 -0.000354
H 11.191598 -1.763591 0.888227
H 12.187945 -0.604465 0.002894
H 11.192040 -1.767444 -0.877889
H -1.703662 3.110237 0.000393
H -2.878502 -1.685503 0.002347
H -7.136547 0.942990 0.007580
H -3.925260 4.205532 0.003313
H -7.195994 -1.553658 0.007702
H -6.708192 -3.692163 0.914219
H -6.710599 -3.692245 -0.899712
H -5.743063 -4.917612 0.006027


%chk=000182359-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182359

0 1
O -5.014167 -3.169751 0.005665
N -1.332066 0.421348 0.002655
N -5.095390 2.478262 0.001849
C 5.065815 0.475384 0.001099
C 3.684659 -0.217082 0.003954
C 6.249639 -0.517383 0.003425
C 2.507090 0.782785 0.001450
C 7.628731 0.179674 0.000370
C 1.125106 0.093251 0.003896
C 8.816454 -0.808557 0.002510
C -0.034282 1.107185 0.001358
C 10.194199 -0.107568 -0.000613
C -2.548360 1.080171 0.002313
C 11.376478 -1.100254 0.001380
C -3.799634 0.329222 0.003126
C -5.035308 1.084800 0.002766
C -2.635286 2.489696 0.001288
C -3.856261 -1.094295 0.004188
C -6.271845 0.369285 0.003380
C -3.911651 3.122377 0.001180
C -5.088284 -1.764893 0.004718
C -6.314026 -1.027024 0.004304
C -6.271452 -3.920252 0.006141
H 5.143114 1.134552 -0.889066
H 5.144100 1.139947 0.887153
H 3.605951 -0.880856 -0.882433
H 3.606827 -0.875371 0.894494
H 6.173399 -1.182189 -0.882627
H 6.174521 -1.176685 0.893673
H 2.588291 1.440074 -0.889143
H 2.588875 1.445259 0.888137
H 7.704524 0.844761 0.886380
H 7.703295 0.839391 -0.889752
H 1.041735 -0.558975 0.897721
H 1.041314 -0.564056 -0.886200
H 8.744799 -1.468572 0.892652
H 8.743527 -1.473948 -0.883517
H 0.046715 1.766642 0.892156
H 0.047276 1.762889 -0.892215
H 10.264541 0.551858 -0.889968
H 10.265910 0.557097 0.884720
H -1.320616 -0.597029 0.001882
H 11.346342 -1.750909 0.896116
H 12.348815 -0.573779 -0.000824
H 11.345055 -1.756008 -0.889581
H -1.737050 3.112219 0.000467
H -2.957365 -1.721153 0.004699
H -7.188704 0.966835 0.003076
H -3.960440 4.218852 0.000443
H -7.279148 -1.542134 0.004735
H -6.872271 -3.703862 0.911083
H -6.872261 -3.704996 -0.899078
H -5.971133 -4.978531 0.006808


