%chk=000257787.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257787

0 1
O -1.383206 -1.252534 -2.323546
O -3.308212 -0.992445 1.692130
O 4.595275 0.256350 -0.397171
O -1.400236 -2.783401 -0.691456
O -4.289708 -0.424510 -0.241622
O -1.823144 2.248744 0.951105
N -1.757508 0.843141 -0.861129
C -1.807269 -0.414515 -0.099970
C -0.821776 -0.461507 1.090731
C 0.614153 -0.313806 0.680185
C 1.226825 0.954056 0.730027
C -1.513393 -1.628588 -1.012215
C -3.276910 -0.591168 0.388177
C 1.355314 -1.426701 0.275018
C 2.560007 1.122791 0.366885
C 3.287187 -0.025540 -0.053043
C 2.697946 -1.289934 -0.098956
C -1.758951 2.115710 -0.256106
C 3.227231 2.454733 0.430340
C -1.685641 3.250152 -1.235122
C 5.428846 -0.844909 -0.829071
H -0.977865 -1.412066 1.651713
H -1.108440 0.342108 1.817462
H -1.727437 0.752460 -1.881269
H 0.644689 1.814786 1.069893
H 0.893969 -2.415899 0.250446
H 3.257652 -2.165779 -0.410395
H 4.026369 2.541777 -0.323012
H 2.527224 3.283592 0.272242
H 3.702026 2.603803 1.412254
H -1.685365 4.211876 -0.693907
H -0.771687 3.223190 -1.844796
H -2.546886 3.271098 -1.918382
H -1.180067 -2.022110 -2.926631
H -4.240570 -1.087019 2.042045
H 6.383449 -0.339154 -1.023910
H 5.028088 -1.291491 -1.743181
H 5.533621 -1.580996 -0.026761


%chk=000257787-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257787

0 1
O -1.206429 -1.110571 -2.352627
O -3.388921 -1.117437 1.601004
O 4.731247 0.188267 -0.406415
O -1.554394 -2.737647 -0.735155
O -4.268623 -0.207751 -0.344184
O -2.563058 2.127295 0.936693
N -1.673244 0.916153 -0.821571
C -1.794578 -0.355717 -0.101383
C -0.791950 -0.472477 1.109368
C 0.664322 -0.333505 0.701345
C 1.284426 0.943725 0.639537
C -1.523166 -1.535846 -1.057978
C -3.284360 -0.513477 0.355883
C 1.447084 -1.469298 0.386697
C 2.634397 1.115287 0.267942
C 3.390176 -0.052083 -0.051538
C 2.802965 -1.337280 0.009908
C -2.091115 2.099496 -0.244343
C 3.289183 2.479888 0.218242
C -1.974114 3.341548 -1.114930
C 5.570117 -0.972104 -0.710572
H -0.979699 -1.447593 1.586956
H -1.086567 0.316384 1.821047
H -1.340541 0.880746 -1.786651
H 0.699796 1.831783 0.910510
H 1.001435 -2.469466 0.448473
H 3.385963 -2.234374 -0.219310
H 3.693106 2.693462 -0.788547
H 2.570851 3.273180 0.486863
H 4.148456 2.534547 0.911939
H -1.590460 4.175977 -0.505634
H -1.318129 3.198450 -1.990620
H -2.980645 3.626637 -1.470284
H -1.018720 -1.899025 -2.929062
H -4.351495 -1.208819 1.837808
H 6.561958 -0.557191 -0.943329
H 5.184969 -1.530947 -1.585962
H 5.645359 -1.653920 0.158882


