%chk=000191781.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191781

0 1
O -3.249810 0.995466 -0.642196
O -2.785656 -2.529371 0.194155
O -4.870237 -1.973425 -1.192655
O -5.507355 2.755002 -0.784322
O -0.166973 -1.746778 0.126596
N -1.114235 0.398997 0.225541
N 1.178256 -0.006602 0.894377
N 2.484902 1.737117 1.736439
N 8.681629 -1.135199 -1.730258
C -3.175549 -1.154503 0.406340
C -4.623884 -0.980847 -0.160369
C -2.345203 -0.128621 -0.431646
C -4.643794 0.434350 -0.791145
C -5.585102 1.443418 -0.136442
C -1.006205 1.724497 0.594901
C 0.002266 -0.515119 0.416095
C 0.167619 2.217839 1.129073
C 1.279810 1.300666 1.247388
C 4.516718 0.847787 0.537597
C 3.677701 0.873182 1.836697
C 5.754409 -0.068912 0.661252
C 6.593540 -0.119250 -0.635648
C 7.841076 -1.038932 -0.520794
H -3.131635 -0.867837 1.476309
H -5.371435 -1.080222 0.651893
H -2.045571 -0.598016 -1.392109
H -4.854790 0.339081 -1.871483
H -5.360137 1.520380 0.949741
H -6.629447 1.112796 -0.264578
H -1.768081 -2.530800 0.135906
H -4.218211 -2.713173 -0.998610
H -1.894819 2.334726 0.428800
H 0.242546 3.266275 1.425031
H -4.549868 3.003947 -0.850675
H 3.869467 0.489902 -0.285458
H 4.838696 1.877523 0.278992
H 4.290665 1.231846 2.685472
H 3.325748 -0.147700 2.062685
H 5.423981 -1.095399 0.922966
H 6.395220 0.277456 1.500048
H 2.578038 2.727426 1.963797
H 6.925349 0.905618 -0.905916
H 5.959003 -0.476234 -1.473361
H 8.479159 -0.686031 0.313529
H 7.515442 -2.062152 -0.249145
H 8.219966 -1.588601 -2.525097
H 9.123695 -0.251972 -2.004310


%chk=000191781-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191781

0 1
O -3.383099 0.966940 -0.856686
O -2.630314 -2.536858 -0.168329
O -4.769289 -1.837276 -1.495403
O -5.398870 2.654699 0.273596
O -0.191022 -1.626737 -0.125820
N -1.169860 0.501766 -0.057659
N 1.122486 0.149501 0.637641
N 2.398541 1.935321 1.439416
N 8.719733 -1.405641 -1.345816
C -3.078289 -1.203853 0.163955
C -4.566544 -1.081637 -0.266696
C -2.390721 -0.089890 -0.688416
C -4.761272 0.413520 -0.558282
C -5.339046 1.229418 0.603515
C -1.067619 1.848644 0.224786
C -0.041265 -0.386261 0.152430
C 0.101000 2.380977 0.732741
C 1.210791 1.473164 0.931220
C 4.478820 0.913654 0.424851
C 3.571200 1.068961 1.668048
C 5.672992 -0.023810 0.708681
C 6.602951 -0.213365 -0.511871
C 7.789037 -1.174618 -0.223554
H -2.953503 -0.974331 1.242317
H -5.245694 -1.444332 0.531251
H -2.096595 -0.506987 -1.672400
H -5.357567 0.556052 -1.474793
H -4.741756 1.059714 1.526258
H -6.383231 0.927732 0.793159
H -1.614375 -2.476813 -0.201232
H -4.120944 -2.599078 -1.440947
H -1.957041 2.443732 0.015500
H 0.169573 3.446501 0.961600
H -4.523382 2.908613 -0.117819
H 3.868646 0.502003 -0.400993
H 4.848363 1.907771 0.100076
H 4.147228 1.491031 2.513727
H 3.192299 0.075167 1.962645
H 5.286823 -1.013495 1.029783
H 6.265398 0.372432 1.561114
H 2.484104 2.935325 1.622293
H 7.005805 0.770369 -0.833318
H 6.016720 -0.609488 -1.366996
H 8.374483 -0.784333 0.632444
H 7.390178 -2.156857 0.097188
H 8.301785 -1.899065 -2.141039
H 9.229246 -0.568681 -1.646763


