%chk=000181652.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181652

0 1
O -0.616617 4.126139 0.153907
O -3.435309 -1.998903 0.006938
O -1.347194 -2.868702 0.065169
N 0.478640 2.126251 0.215266
N 1.942414 -1.343725 0.223475
N -4.367744 2.284041 0.805913
C 2.828628 0.661138 -0.464546
C 2.819342 2.108002 -0.784633
C 1.691932 0.034568 0.061596
C 1.785532 2.851281 0.078168
C 0.439944 0.726729 0.331221
C 3.831500 -0.342053 -0.638375
C 3.248566 -1.588381 -0.205271
C -0.731172 0.076760 0.630603
C -1.965130 0.784390 0.748633
C -0.724075 2.920528 0.293637
C -1.962198 2.185548 0.545004
C -3.213529 0.145930 1.030717
C 5.162466 -0.335527 -1.112950
C 3.977072 -2.802380 -0.245649
C -3.259348 -1.329432 1.319214
C -3.192672 2.894624 0.586327
C -4.367176 0.925879 1.018930
C 5.862340 -1.522876 -1.147507
C 5.270970 -2.747388 -0.716406
C -4.447774 -1.805357 2.136467
C -2.406663 -2.732042 -0.514820
C -2.814341 -3.291357 -1.831686
H 3.819975 2.563298 -0.630059
H 2.592403 2.241422 -1.867117
H 2.189703 3.010389 1.105365
H 1.575880 3.862287 -0.352406
H 1.262635 -2.024176 0.524657
H -0.734989 -1.011478 0.745864
H 5.610167 0.600187 -1.440730
H 3.521640 -3.731182 0.083456
H -2.296912 -1.686306 1.764118
H -3.205645 3.985277 0.430639
H -5.361782 0.490582 1.186005
H 6.888960 -1.545919 -1.508162
H 5.872138 -3.655673 -0.767176
H -5.386663 -1.733287 1.569476
H -4.560877 -1.223130 3.059605
H -4.336434 -2.860352 2.419497
H -2.181303 -2.886706 -2.638622
H -3.861590 -3.054734 -2.083175
H -2.699812 -4.386484 -1.847277


%chk=000181652-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181652

0 1
O -0.614900 4.260282 0.235876
O -3.283811 -1.988204 -0.073896
O -1.219384 -2.994007 0.387143
N 0.468528 2.180139 0.225359
N 1.873401 -1.301685 0.205225
N -4.385348 2.416017 0.919936
C 2.810821 0.683736 -0.462972
C 2.795947 2.156551 -0.785029
C 1.667937 0.082985 0.081062
C 1.789414 2.878561 0.137095
C 0.423941 0.779529 0.345370
C 3.775532 -0.363269 -0.686706
C 3.159702 -1.599917 -0.254381
C -0.763681 0.121499 0.635219
C -1.990099 0.846898 0.762764
C -0.700863 2.996302 0.335640
C -1.966164 2.269973 0.582603
C -3.258236 0.222284 1.042646
C 5.097811 -0.393905 -1.208672
C 3.833206 -2.839041 -0.329793
C -3.336329 -1.277810 1.283128
C -3.182198 2.995791 0.669593
C -4.393493 1.050376 1.103605
C 5.768125 -1.627930 -1.286811
C 5.142115 -2.836208 -0.851800
C -4.611641 -1.794326 1.954878
C -2.214845 -2.824689 -0.368782
C -2.393826 -3.480945 -1.719659
H 3.789406 2.619482 -0.637408
H 2.525777 2.315750 -1.848841
H 2.204455 2.935511 1.162844
H 1.574224 3.904039 -0.201639
H 1.177134 -1.982939 0.512857
H -0.752238 -0.964255 0.719487
H 5.586840 0.527108 -1.544917
H 3.359891 -3.769229 0.002146
H -2.447418 -1.622128 1.844099
H -3.168727 4.081625 0.530926
H -5.380678 0.628455 1.318729
H 6.787296 -1.669623 -1.686097
H 5.693034 -3.780413 -0.925577
H -5.500221 -1.617611 1.326069
H -4.761790 -1.296154 2.929151
H -4.528583 -2.880184 2.130487
H -1.594313 -3.137893 -2.400066
H -3.373332 -3.238851 -2.154770
H -2.286523 -4.573977 -1.612819


