%chk=000180653.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180653

0 1
O -0.784954 1.744095 0.728765
N 0.313161 0.169439 -0.680549
N -3.910616 -2.407465 -1.081182
C -0.971702 0.532746 -0.027184
C -1.481404 -0.420402 1.085789
C 1.524544 0.129397 0.193031
C -1.973609 0.728909 -1.154915
C -2.407040 -1.483613 0.599078
C 1.745662 -1.223992 0.833136
C 2.695667 0.564317 -0.661641
C -2.938782 -0.162787 -1.406346
C -3.091133 -1.361395 -0.561320
C -0.325876 2.934574 0.030433
C 4.147822 -1.290092 0.164788
C 2.923605 -1.851434 0.827139
C 3.872168 -0.066902 -0.660324
C 0.561158 3.657544 1.030587
H -2.003316 0.198128 1.855346
H -0.617601 -0.872979 1.619427
H 0.226701 -0.684491 -1.241748
H 1.392359 0.890868 1.019616
H -1.831689 1.624103 -1.755436
H -2.507874 -2.346884 1.248057
H 0.862864 -1.648265 1.317251
H 2.502947 1.438235 -1.282837
H -3.637199 -0.038249 -2.233238
H 0.214362 2.665620 -0.893062
H -1.237788 3.508045 -0.211615
H 4.905705 -1.045474 0.942963
H 4.615098 -2.070828 -0.474919
H 3.063476 -2.818070 1.309450
H 4.708288 0.274853 -1.268073
H 0.771954 4.683287 0.712138
H 0.078357 3.699022 2.017117
H 1.517688 3.138225 1.168469
H -4.217938 -3.084440 -0.394418
H -4.690563 -2.095045 -1.644071


%chk=000180653-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180653

0 1
O -0.819341 2.039075 0.781583
N 0.301962 0.291376 -0.456622
N -3.593681 -2.564899 -0.925183
C -0.984104 0.710251 0.112365
C -1.550844 -0.165451 1.263723
C 1.452994 -0.051685 0.420878
C -1.984447 0.772204 -1.040767
C -2.208533 -1.443600 0.777741
C 1.586684 -1.556934 0.616300
C 2.728018 0.561759 -0.137553
C -2.831571 -0.265107 -1.290867
C -2.856134 -1.473896 -0.436364
C -0.316729 3.128712 -0.075146
C 4.003925 -1.622647 -0.131956
C 2.717966 -2.261050 0.350132
C 3.864457 -0.136945 -0.390860
C 0.406768 4.128942 0.830178
H -2.282547 0.463889 1.813701
H -0.740629 -0.385472 1.981627
H 0.246072 -0.244175 -1.326573
H 1.230632 0.438336 1.392833
H -1.969776 1.658715 -1.684578
H -2.247414 -2.304853 1.456850
H 0.678573 -2.078701 0.947149
H 2.676192 1.637039 -0.353250
H -3.527270 -0.218270 -2.140655
H 0.367380 2.704016 -0.837394
H -1.171429 3.618631 -0.588748
H 4.812860 -1.800789 0.610904
H 4.354419 -2.133928 -1.055224
H 2.723381 -3.352034 0.483506
H 4.740070 0.381189 -0.806102
H 0.747001 5.005218 0.246791
H -0.265859 4.483544 1.630942
H 1.285771 3.658478 1.305349
H -3.668735 -3.418590 -0.379398
H -3.891577 -2.593748 -1.895608


