%chk=000108292.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000108292

0 1
P 4.089720 0.208588 0.230350
O 3.931147 1.319349 1.226678
O -1.114244 0.889439 0.808066
N 4.958103 0.719099 -1.236134
N 5.011602 -1.175526 0.819603
N 0.159164 -0.648714 -0.345052
N -2.210439 -0.831235 -0.327437
C 5.389993 2.148732 -1.310598
C 4.278030 1.635626 -2.200545
C 6.452117 -1.353062 0.459393
C 6.059433 -0.928771 1.857718
C 2.549800 -0.550948 -0.384862
C 1.388514 -0.074836 0.073967
C -1.088279 -0.105789 0.110069
C -3.572680 -0.451611 -0.058488
C -4.607703 -1.057129 -0.818394
C -3.886725 0.479584 0.943007
C -5.933677 -0.713408 -0.538632
C -6.251589 0.216802 0.464184
C -5.217283 0.810814 1.198954
C -4.317996 -2.045224 -1.903678
C -7.680130 0.562274 0.731700
H 6.393419 2.309345 -1.717932
H 5.172684 2.855224 -0.497248
H 3.248149 1.974826 -2.059387
H 4.475363 1.414426 -3.255808
H 6.974614 -0.668483 -0.215995
H 6.741455 -2.391525 0.259870
H 6.067273 -1.655691 2.678536
H 6.280566 0.077319 2.231183
H 2.677115 -1.385896 -1.064894
H 1.272777 0.773085 0.781143
H 0.193546 -1.462512 -0.954739
H -2.085266 -1.663117 -0.902394
H -3.090437 0.958592 1.525456
H -6.737592 -1.173354 -1.111847
H -5.444083 1.537624 1.977857
H -5.232731 -2.362926 -2.425998
H -3.856845 -2.960668 -1.508421
H -3.658033 -1.620817 -2.673271
H -8.152353 1.014952 -0.152111
H -7.795841 1.276246 1.557803
H -8.265659 -0.330203 0.994528


%chk=000108292-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108292

0 1
P 4.131122 0.241112 -0.171202
O 3.996609 1.453209 0.892464
O -1.024869 0.936818 0.934719
N 4.919885 0.652481 -1.738779
N 5.167955 -1.143983 0.330441
N 0.125080 -0.553759 -0.465743
N -2.214135 -0.630750 -0.383111
C 5.989122 1.733097 -1.704190
C 4.624820 2.038353 -2.289964
C 6.430096 -0.811863 1.109124
C 5.238365 -1.416407 1.824995
C 2.557648 -0.532840 -0.658329
C 1.386567 -0.053269 -0.149023
C -1.063821 -0.006480 0.099256
C -3.571682 -0.349574 -0.038063
C -4.587072 -1.103895 -0.706937
C -3.929350 0.627656 0.923041
C -5.936737 -0.847908 -0.382204
C -6.319869 0.124826 0.576868
C -5.290292 0.852892 1.218546
C -4.232566 -2.156305 -1.746328
C -7.784712 0.370959 0.894354
H 6.841322 1.536789 -2.361191
H 6.220302 2.196941 -0.736618
H 3.972373 2.698216 -1.703593
H 4.483922 2.062913 -3.374499
H 6.646120 0.243386 1.319433
H 7.290585 -1.433548 0.845301
H 5.231903 -2.479464 2.082619
H 4.674908 -0.751910 2.492573
H 2.624091 -1.366818 -1.365696
H 1.370133 0.782596 0.561311
H 0.070535 -1.333976 -1.124714
H -2.092941 -1.371990 -1.075398
H -3.144936 1.198642 1.422557
H -6.716117 -1.426099 -0.895592
H -5.550059 1.612880 1.964871
H -5.144904 -2.622683 -2.152500
H -3.617234 -2.977242 -1.323259
H -3.682513 -1.726686 -2.608813
H -8.340158 0.715262 0.001220
H -7.901790 1.139485 1.677427
H -8.282709 -0.550565 1.250829


