%chk=000246234.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246234

0 1
S 2.023733 0.516549 -0.025214
N -2.937339 1.050967 0.037518
N -0.856819 2.053108 0.054637
N -2.188461 -1.341078 -0.031195
N 0.292060 -1.524225 -0.049164
N -1.102533 -3.438747 0.035922
C -4.414790 0.957031 0.043375
C -4.951618 0.152404 1.248574
C -4.965725 0.235976 -1.207710
C -6.301015 -0.417640 0.779651
C -6.311207 -0.362357 -0.763330
C -2.001506 0.015568 0.007454
C -2.172745 2.271383 0.065942
C -0.699153 0.659134 0.017901
C 0.429033 -0.186083 -0.016046
C -1.009431 -2.055337 -0.032854
C 3.138740 -0.925978 -0.054461
C 4.506268 -0.330961 -0.028605
C 5.143838 -0.078956 1.197259
C 5.164413 -0.020256 -1.229840
C 6.426823 0.473553 1.217833
C 6.447387 0.532086 -1.201921
C 7.081221 0.778926 0.020082
H -4.808516 2.005969 0.081326
H -5.048941 0.776080 2.149363
H -4.257492 -0.671982 1.510552
H -4.275858 -0.569413 -1.530887
H -5.071674 0.919093 -2.063242
H -7.140914 0.164018 1.195883
H -6.432028 -1.452460 1.139238
H -6.451531 -1.368173 -1.194240
H -7.153951 0.250618 -1.125434
H -2.657920 3.236703 0.093457
H 2.948886 -1.544190 -0.954619
H 2.935757 -1.590234 0.810163
H -0.280345 -3.987287 -0.167895
H -1.996867 -3.870544 -0.145124
H 4.636781 -0.308556 2.133410
H 4.673677 -0.204108 -2.184428
H 6.916892 0.668640 2.170461
H 6.953484 0.772785 -2.135504
H 8.080184 1.209674 0.039014


%chk=000246234-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246234

0 1
S 2.011799 0.832207 -0.060423
N -3.031162 1.045607 0.014913
N -1.029386 2.190790 0.007149
N -2.159665 -1.279730 -0.043524
N 0.305960 -1.333725 -0.082722
N -0.963088 -3.299422 -0.101768
C -4.492092 0.833892 0.036688
C -5.000251 0.012283 1.251644
C -5.041874 0.042376 -1.179797
C -6.442828 -0.397688 0.840898
C -6.471545 -0.371555 -0.731406
C -2.026619 0.075017 -0.019463
C -2.367122 2.290320 0.027703
C -0.792649 0.803701 -0.023820
C 0.390490 0.020110 -0.056867
C -0.947696 -1.921259 -0.074528
C 3.148094 -0.715740 -0.109999
C 4.588590 -0.271529 -0.046849
C 5.238791 -0.106376 1.203987
C 5.319550 -0.013920 -1.235772
C 6.589710 0.300784 1.266000
C 6.670832 0.393419 -1.176804
C 7.310428 0.551398 0.074824
H -4.948290 1.843800 0.056907
H -4.961745 0.584768 2.194542
H -4.355241 -0.877592 1.361679
H -4.404685 -0.847115 -1.330393
H -5.031635 0.636079 -2.110215
H -7.182014 0.315952 1.248747
H -6.702811 -1.392573 1.241971
H -6.754245 -1.350492 -1.155639
H -7.218939 0.360934 -1.087767
H -2.921072 3.226980 0.054153
H 2.901449 -1.249778 -1.040002
H 2.849918 -1.340114 0.745545
H -0.080896 -3.801675 -0.129820
H -1.853818 -3.787389 -0.101003
H 4.680601 -0.295617 2.128796
H 4.824848 -0.131526 -2.207436
H 7.079031 0.422208 2.238909
H 7.223272 0.587058 -2.103120
H 8.358805 0.866834 0.121388


