%chk=000239171.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239171

0 1
O 4.975524 -1.624323 0.006986
O 5.453577 0.485392 -0.005915
N -1.762925 0.130307 -0.000975
N -0.733430 1.048397 -0.007226
N 1.524357 1.583854 -0.011072
N 4.658836 -0.444134 -0.000011
C -4.081787 -0.596340 0.004378
C -3.008624 0.515842 -0.003176
C -4.939143 -0.435177 -1.263042
C -3.452568 -1.998623 0.012782
C -4.937647 -0.419240 1.270689
C -3.481567 1.938110 -0.012249
C 0.571054 0.566973 -0.004627
C 0.928718 -0.811056 0.003572
C 2.268210 -1.145011 0.005099
C 3.240660 -0.118139 -0.001451
C 2.820820 1.234796 -0.009443
H -5.697597 -1.224644 -1.324414
H -5.469036 0.521831 -1.292063
H -4.327620 -0.503940 -2.170348
H -2.816471 -2.151885 0.893402
H -4.219507 -2.779388 0.018072
H -2.817421 -2.162850 -0.866540
H -5.696124 -1.207771 1.342801
H -4.325070 -0.476745 2.178071
H -5.467375 0.538135 1.288387
H -3.135093 2.476699 -0.906509
H -4.579174 2.017302 -0.012739
H -3.135045 2.488072 0.875040
H -0.888654 2.064715 -0.013208
H 0.146464 -1.572050 0.008464
H 2.596060 -2.191745 0.011296
H 3.562001 2.053237 -0.014631


%chk=000239171-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239171

0 1
O 5.074496 -1.594842 0.005884
O 5.524832 0.648139 -0.008454
N -1.759926 0.020748 -0.000085
N -0.735380 0.959800 -0.006141
N 1.492188 1.586223 -0.011335
N 4.701289 -0.352872 -0.001741
C -4.121065 -0.603075 0.004438
C -3.005733 0.455036 -0.001978
C -5.000646 -0.423290 -1.271090
C -3.541449 -2.039518 0.014542
C -5.002507 -0.406197 1.276132
C -3.367571 1.933666 -0.010192
C 0.586979 0.550058 -0.004466
C 0.964413 -0.827911 0.003660
C 2.328896 -1.133060 0.004620
C 3.266824 -0.066953 -0.002502
C 2.809098 1.273716 -0.010338
H -5.815722 -1.170018 -1.266985
H -5.465190 0.578149 -1.324576
H -4.400756 -0.575801 -2.186572
H -2.915124 -2.211668 0.906429
H -4.370433 -2.771118 0.019095
H -2.914139 -2.223849 -0.874204
H -5.818343 -1.152122 1.280416
H -4.404262 -0.547437 2.194497
H -5.466244 0.596265 1.316094
H -2.964915 2.444281 -0.908269
H -4.456397 2.083332 -0.009347
H -2.962118 2.454943 0.880465
H -0.892151 1.976747 -0.012229
H 0.190518 -1.596814 0.008817
H 2.690392 -2.164667 0.010683
H 3.524550 2.100709 -0.015866


