%chk=000280406.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280406

0 1
S 2.443515 1.167372 1.692077
O 3.201174 0.607035 2.793614
O 2.057918 2.551670 1.721003
N 0.150434 0.335382 0.730483
N 0.997119 0.174420 1.766952
C -3.101595 -0.816641 -0.322829
C -3.011623 -1.497809 0.978791
C -1.900299 -0.059771 -0.519060
C -1.753516 -1.158367 1.580215
C -1.013243 -0.248777 0.663785
C -4.099430 -0.812121 -1.283149
C -3.901859 -2.337575 1.626084
C -1.715276 0.691133 -1.667122
C -1.412350 -1.669294 2.820751
C -3.904035 -0.047632 -2.449982
C -3.544179 -2.850640 2.888425
C -2.736322 0.689416 -2.637675
C -2.323924 -2.522812 3.474043
C 3.169969 0.765538 0.195904
C 2.699017 1.334762 -0.994134
C 4.244761 -0.133311 0.160043
C 4.377569 0.112726 -2.249944
C 3.298041 1.012376 -2.211550
C 4.847509 -0.458935 -1.052876
C 5.010337 -0.246598 -3.551459
H -5.015032 -1.381689 -1.145322
H -4.857025 -2.598368 1.176682
H -0.806817 1.271396 -1.815087
H -0.463259 -1.426254 3.297092
H -4.681626 -0.034922 -3.212298
H -4.236156 -3.511763 3.408739
H -2.605909 1.276891 -3.545348
H -2.063670 -2.927712 4.451272
H 0.740866 -0.371530 2.608249
H 1.856833 2.036523 -0.970914
H 4.617041 -0.578552 1.091185
H 2.926476 1.457873 -3.132570
H 5.682250 -1.157258 -1.073710
H 6.074502 -0.501775 -3.447949
H 4.512412 -1.123661 -3.995802
H 4.947101 0.564754 -4.290411


%chk=000280406-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000280406

0 1
S 2.249380 1.459000 1.296327
O 2.962105 1.196087 2.737852
O 1.617467 2.895869 0.873746
N -0.118873 0.255767 0.422725
N 0.859557 0.039449 1.323831
C -3.551423 -0.750094 -0.135745
C -3.240437 -1.557544 1.062918
C -2.377028 -0.018737 -0.498593
C -1.873326 -1.317644 1.435228
C -1.309946 -0.325680 0.482934
C -4.731679 -0.618310 -0.892639
C -4.030816 -2.457260 1.800769
C -2.370868 0.845848 -1.607818
C -1.295331 -2.010149 2.520813
C -4.726037 0.247236 -2.014818
C -3.453753 -3.128532 2.908473
C -3.558711 0.971901 -2.368759
C -2.098896 -2.914623 3.259857
C 3.365966 0.872518 -0.088084
C 3.189371 1.435401 -1.361585
C 4.347442 -0.085948 0.211316
C 5.053941 0.024247 -2.150962
C 4.049632 0.998858 -2.392833
C 5.194269 -0.501948 -0.838332
C 5.949990 -0.460144 -3.275483
H -5.640887 -1.168201 -0.625430
H -5.074551 -2.645293 1.526563
H -1.467478 1.406482 -1.866603
H -0.238368 -1.899227 2.783491
H -5.634888 0.361872 -2.615953
H -4.058324 -3.830608 3.493161
H -3.579573 1.637455 -3.238657
H -1.664969 -3.458684 4.105473
H 0.626324 -0.041800 2.339551
H 2.423084 2.198291 -1.530275
H 4.458369 -0.472471 1.229344
H 3.938514 1.422130 -3.397537
H 5.975163 -1.243280 -0.634190
H 6.946768 -0.753233 -2.902982
H 5.510556 -1.347592 -3.770859
H 6.085963 0.314092 -4.050037


