%chk=000218310.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218310

0 1
O -0.728196 -3.055028 0.285056
O 2.801473 -0.163370 0.096445
N -1.564000 -0.386789 -0.155034
N -0.385606 1.535730 0.048341
N 1.445225 -2.538916 -0.197311
N 2.290030 1.896524 0.920078
C -4.127039 0.849806 -0.098045
C -3.937742 -0.500679 -0.820586
C -2.898367 1.758706 -0.333537
C -2.737904 -1.279226 -0.269406
C -1.625759 1.016885 -0.137734
C -5.401866 1.547135 -0.573400
C -0.223703 -0.760409 0.023494
C 0.487980 0.447670 0.149491
C 0.140034 -2.205381 0.076390
C 1.940033 0.680691 0.356352
C 1.905650 -3.945218 -0.070303
C 3.714255 2.290528 1.059211
C 2.848056 -4.108932 1.119249
C 4.086691 3.394111 0.072847
H -4.212733 0.654563 1.000822
H -3.816330 -0.331601 -1.909028
H -4.849147 -1.121010 -0.714512
H -2.931643 2.638198 0.345632
H -2.915356 2.183400 -1.362218
H -2.951820 -1.715205 0.737402
H -2.480414 -2.153706 -0.918032
H -5.539720 2.514268 -0.075139
H -5.392310 1.736060 -1.653206
H -6.292044 0.944390 -0.357334
H 2.184960 -1.813337 -0.290572
H 1.593688 2.635885 1.027984
H 1.020986 -4.619662 0.036194
H 2.419085 -4.220984 -1.019352
H 3.875342 2.627767 2.108145
H 4.360405 1.391674 0.899294
H 3.715104 -3.439336 1.051943
H 2.341652 -3.885415 2.067200
H 3.226361 -5.135289 1.182136
H 3.944200 3.068625 -0.966585
H 3.485836 4.299600 0.214753
H 5.140254 3.677379 0.182574


%chk=000218310-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218310

0 1
O -0.558563 -3.172658 -0.280103
O 2.954438 -0.169419 0.434560
N -1.455875 -0.425031 -0.165702
N -0.320864 1.489880 0.213982
N 1.655637 -2.484088 -0.009193
N 2.263811 2.048649 0.652832
C -4.066858 0.795027 0.026412
C -3.850039 -0.465820 -0.846890
C -2.829664 1.716775 -0.127112
C -2.642073 -1.301066 -0.383942
C -1.537982 0.957463 -0.013588
C -5.364160 1.539861 -0.344343
C -0.104341 -0.804178 -0.019614
C 0.582007 0.414560 0.209430
C 0.312124 -2.242416 -0.110490
C 2.020138 0.717203 0.436984
C 2.179308 -3.857448 -0.074865
C 3.604898 2.603300 0.873278
C 2.204011 -4.552722 1.305759
C 4.041069 3.556758 -0.259887
H -4.133373 0.471828 1.086954
H -3.715423 -0.156229 -1.903171
H -4.743107 -1.117579 -0.812515
H -2.833071 2.524195 0.626945
H -2.872698 2.214850 -1.118108
H -2.860400 -1.824404 0.564844
H -2.367142 -2.080914 -1.108038
H -5.489026 2.455926 0.262323
H -5.355008 1.839083 -1.410143
H -6.251300 0.901384 -0.179993
H 2.306198 -1.675506 0.160046
H 1.433558 2.654460 0.615408
H 1.540394 -4.437018 -0.764767
H 3.199080 -3.809337 -0.498747
H 3.623855 3.135334 1.844858
H 4.294707 1.745358 0.944887
H 2.827575 -3.989321 2.022791
H 1.179982 -4.626182 1.710236
H 2.615733 -5.575096 1.213873
H 4.069886 3.024103 -1.226144
H 3.348135 4.412984 -0.357100
H 5.050028 3.957552 -0.052248


