%chk=000197017.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197017

0 1
O 1.917132 -2.170149 -0.158461
O -0.221207 -4.036818 -0.369578
N -2.624502 1.960703 -0.131174
C -1.217671 1.537246 0.195308
C -0.994925 0.043489 0.020578
C -0.241280 2.281581 -0.746705
C -2.064287 -0.849958 -0.099378
C -3.620495 1.033714 0.498221
C -3.478774 -0.350893 -0.148038
C 0.348155 -0.412460 -0.018619
C 1.166024 1.909784 -0.379977
C 1.440298 0.580660 0.031115
C 0.590540 -1.795662 -0.157109
C -1.819992 -2.227073 -0.225586
C -2.875671 3.359677 0.332718
C -0.506862 -2.689278 -0.245943
C 2.189117 2.860751 -0.416040
C 2.734747 0.261605 0.462890
C 3.484491 2.515150 -0.014549
C 3.751876 1.222357 0.437188
C 2.254173 -3.466833 -0.716807
H -0.954872 1.788052 1.261878
H -0.405980 3.374649 -0.693502
H -0.452322 2.002505 -1.802387
H -4.639775 1.432462 0.304635
H -3.506491 0.954432 1.601047
H -3.789007 -0.291951 -1.216756
H -4.173896 -1.061819 0.338578
H -2.648689 -2.923624 -0.310331
H -2.149504 4.037365 -0.147543
H -2.815043 3.506371 1.421109
H -3.876114 3.671440 -0.008216
H 1.981111 3.873926 -0.752416
H 2.960338 -0.745772 0.826163
H 4.278369 3.258624 -0.047974
H 4.752934 0.955402 0.768884
H -1.052745 -4.569495 -0.433971
H 1.926906 -4.255375 -0.029088
H 3.346264 -3.405680 -0.775945
H 1.802730 -3.593608 -1.704018


%chk=000197017-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197017

0 1
O 1.876385 -2.386716 0.021922
O -0.265746 -4.153619 -0.057326
N -2.629282 1.924429 -0.193834
C -1.230031 1.533202 0.130080
C -1.012450 0.015183 0.066310
C -0.206318 2.194455 -0.821092
C -2.102594 -0.881332 0.001731
C -3.608451 1.068902 0.520779
C -3.530707 -0.362810 -0.023653
C 0.339722 -0.471567 0.069492
C 1.195598 1.845343 -0.355483
C 1.455134 0.519669 0.116435
C 0.562387 -1.879640 -0.002036
C -1.860352 -2.273430 -0.043587
C -2.888450 3.358631 0.057904
C -0.546217 -2.770288 -0.040077
C 2.225035 2.811882 -0.351456
C 2.752630 0.222410 0.620239
C 3.516972 2.496665 0.125719
C 3.771186 1.198917 0.623476
C 2.290574 -3.208173 -1.136801
H -0.977421 1.867688 1.175924
H -0.325947 3.290984 -0.840282
H -0.401482 1.819431 -1.846051
H -4.619108 1.483552 0.352216
H -3.427423 1.067907 1.627167
H -3.906966 -0.361080 -1.065457
H -4.191165 -1.029670 0.564182
H -2.710385 -2.969758 -0.074064
H -2.267164 3.991661 -0.596545
H -2.693754 3.660428 1.118776
H -3.945147 3.579491 -0.173544
H 2.007636 3.822924 -0.717507
H 2.955713 -0.778922 1.002303
H 4.306918 3.256238 0.124207
H 4.761411 0.945157 1.018540
H -1.109269 -4.669485 -0.029705
H 1.702299 -4.139465 -1.182771
H 3.354095 -3.431223 -0.960784
H 2.177235 -2.632474 -2.075146


