%chk=000201802.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201802

0 1
O 3.131186 -3.077951 0.028745
O -5.162329 1.266654 -1.829116
O -5.599715 2.834856 -0.101978
O 4.450788 2.045856 1.830047
O 5.531200 2.781770 -0.150998
N -1.333830 -1.822578 0.099246
N 1.367230 -2.021835 -0.960861
C -0.510494 -3.056279 0.333790
C -0.436416 -0.618331 0.043848
C -2.390827 -1.650454 1.166112
C 0.508068 -3.228879 -0.812048
C 0.566061 -0.781463 -1.117907
C -3.227024 -0.415717 0.853863
C -3.325487 -2.868635 1.202012
C 2.643515 -2.033789 -0.371858
C -3.756390 -0.250268 -0.453773
C -3.483980 0.510714 1.865094
C 3.399513 -0.735001 -0.375803
C -4.531062 0.866727 -0.657281
C -4.283521 1.658069 1.649437
C -4.793789 1.810379 0.380940
C 3.476240 -0.013472 0.842582
C 4.033858 -0.308241 -1.539556
C 4.214547 1.145755 0.799052
C -5.858636 2.515492 -1.508470
C 4.864955 1.590516 -0.393813
C 4.793242 0.885366 -1.573900
C 5.303417 3.095119 1.264064
H -1.188231 -3.937739 0.338120
H 0.017298 -3.046327 1.311808
H 0.106079 -0.436953 0.995867
H -1.063644 0.281011 -0.148492
H -1.919587 -1.533393 2.180056
H 1.149303 -4.121845 -0.623091
H -0.020737 -3.390141 -1.778453
H 0.013597 -0.856945 -2.084898
H 1.222818 0.110756 -1.187857
H -3.661166 -3.143178 0.192429
H -2.843141 -3.746526 1.643214
H -4.223387 -2.653364 1.794434
H -3.539407 -0.972530 -1.239777
H -3.067565 0.361013 2.860823
H -4.479312 2.371782 2.443730
H 2.995896 -0.368423 1.750575
H 3.954919 -0.903872 -2.451496
H -6.936314 2.339174 -1.621414
H -5.419207 3.313043 -2.121438
H 5.292018 1.216330 -2.480578
H 6.273325 3.056627 1.777811
H 4.750525 4.042222 1.313556


%chk=000201802-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201802

0 1
O 3.167706 -2.783592 0.314229
O -5.251690 1.096341 -2.233337
O -6.270204 2.482354 -0.561427
O 6.336018 1.267793 1.601454
O 6.244106 2.730303 -0.300006
N -1.466492 -1.670133 0.297508
N 1.323285 -1.620915 -0.511781
C -0.605119 -2.871184 0.465450
C -0.641504 -0.442741 0.446702
C -2.671894 -1.631962 1.184115
C 0.527331 -2.865516 -0.579673
C 0.494223 -0.399228 -0.597275
C -3.600887 -0.485060 0.766367
C -3.458022 -2.966930 1.147548
C 2.655851 -1.691202 -0.103238
C -3.909840 -0.302589 -0.614865
C -4.201894 0.341925 1.745247
C 3.509205 -0.451055 -0.201701
C -4.820602 0.701365 -0.937894
C -5.129340 1.366185 1.401261
C -5.422212 1.518169 0.045369
C 4.474894 -0.250205 0.830244
C 3.468258 0.414184 -1.326102
C 5.332327 0.838040 0.695329
C -6.334761 2.085521 -1.993121
C 5.279721 1.702668 -0.421480
C 4.361984 1.510907 -1.456744
C 7.040993 2.376692 0.909270
H -1.206656 -3.781780 0.310867
H -0.156774 -2.920335 1.489673
H -0.193764 -0.378325 1.471885
H -1.286609 0.441765 0.305188
H -2.364360 -1.450452 2.247206
H 1.210893 -3.712030 -0.407074
H 0.082847 -2.942475 -1.591441
H 0.048086 -0.326956 -1.609390
H 1.116895 0.490098 -0.419482
H -3.682532 -3.253602 0.104146
H -2.909920 -3.791451 1.635566
H -4.416268 -2.840556 1.679947
H -3.424384 -0.921639 -1.373634
H -3.948026 0.192052 2.801063
H -5.585557 2.008336 2.158782
H 4.536718 -0.947284 1.668974
H 2.759023 0.213811 -2.135596
H -7.312145 1.604920 -2.190095
H -6.156114 2.972951 -2.619239
H 4.339693 2.169027 -2.328597
H 8.040107 2.027980 0.588640
H 7.081806 3.250909 1.577559


