%chk=000179734.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179734

0 1
O 0.058049 3.178724 -1.338412
O 0.093822 -0.838542 -2.081505
N 1.413767 -1.498440 -0.349811
C -1.566250 1.063364 1.089304
C -0.062077 0.801472 1.221636
C -2.423565 -0.204706 0.961427
C -1.690551 2.019090 -0.118358
C -2.263798 -1.002642 -0.350609
C 0.652531 1.508019 0.322405
C 0.397544 -0.074154 2.339338
C -0.259068 2.352747 -0.520230
C 2.112177 1.525543 0.028109
C 1.696285 -0.848295 2.094367
C -1.058505 -1.967761 -0.312852
C 2.431976 0.683241 -1.215480
C 1.570323 -1.966620 1.047990
C 2.596778 -0.823757 -0.961218
C 0.162255 -1.352661 -0.973284
C -3.550122 -1.791170 -0.633615
H -1.899956 1.602338 2.012144
H -2.229179 -0.866238 1.828601
H -3.486289 0.101735 1.062297
H -2.266575 2.928386 0.112396
H -2.209298 1.543705 -0.977084
H -2.107474 -0.279563 -1.199228
H 0.531488 0.571476 3.238693
H -0.408902 -0.790188 2.614062
H 2.432841 2.575720 -0.154682
H 2.700459 1.169583 0.902474
H 2.500990 -0.136974 1.791766
H 2.036517 -1.294404 3.050114
H -1.295863 -2.891116 -0.886218
H -0.865208 -2.309016 0.721997
H 1.630281 0.834448 -1.979054
H 3.358703 1.061349 -1.688415
H 2.480387 -2.610433 1.089281
H 0.710912 -2.630365 1.308114
H 2.779625 -1.324689 -1.943834
H 3.487189 -1.011897 -0.326207
H -3.482124 -2.327190 -1.588608
H -3.762759 -2.529068 0.146130
H -4.419035 -1.127450 -0.707442


%chk=000179734-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179734

0 1
O 0.086346 3.244013 -1.373689
O 0.115119 -0.940534 -2.153322
N 1.397213 -1.437862 -0.293440
C -1.570842 1.072639 1.092705
C -0.057031 0.819301 1.215231
C -2.474741 -0.187431 0.890398
C -1.700559 2.123714 -0.040565
C -2.306585 -1.055760 -0.392296
C 0.663147 1.552046 0.300320
C 0.431293 -0.055785 2.358190
C -0.263450 2.403764 -0.497033
C 2.138942 1.609922 -0.024937
C 1.715309 -0.903527 2.170919
C -1.079914 -2.023757 -0.344225
C 2.501870 0.704035 -1.238140
C 1.617298 -1.980327 1.063179
C 2.575640 -0.821762 -0.970769
C 0.187079 -1.426875 -0.976215
C -3.602022 -1.877657 -0.611739
H -1.913407 1.516497 2.053957
H -2.392688 -0.851109 1.777894
H -3.517526 0.190335 0.902075
H -2.173373 3.063476 0.297048
H -2.291990 1.759035 -0.899259
H -2.162989 -0.405221 -1.276584
H 0.592940 0.613283 3.231826
H -0.392708 -0.730002 2.665154
H 2.363459 2.651366 -0.325838
H 2.776434 1.375555 0.846140
H 2.584470 -0.252701 1.974393
H 1.927551 -1.424895 3.126398
H -1.319338 -2.906749 -0.969162
H -0.946304 -2.390146 0.687534
H 1.779137 0.891268 -2.048997
H 3.500182 1.004450 -1.614980
H 2.560208 -2.562872 1.052033
H 0.815583 -2.693991 1.311343
H 2.714284 -1.326137 -1.946209
H 3.454853 -1.048982 -0.338590
H -3.538640 -2.472170 -1.541290
H -3.780502 -2.577531 0.228557
H -4.485447 -1.217316 -0.691515


