%chk=000249087.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249087

0 1
P 2.794102 -0.562338 -0.300594
O 1.711578 0.420420 0.025827
O -4.758329 -1.044056 -0.364280
O -2.105248 0.995248 2.465089
O -0.633861 0.882315 -1.926893
O -4.362427 1.170841 -0.152821
N 3.060102 -0.893624 -2.005647
N 4.385097 -0.073916 0.284423
N 2.571927 -2.176354 0.373004
N -1.606617 0.685750 0.191463
C 2.140521 -0.269185 -3.007529
C 3.582072 0.178244 -2.909512
C 4.426245 1.032986 1.291752
C 4.777791 -0.381812 1.695439
C 1.242799 -2.715667 0.288088
C 0.134093 -1.945116 0.679538
C 1.063050 -4.047726 -0.137552
C -1.154797 -2.477741 0.572991
C -2.343940 -1.614866 0.895938
C -2.481017 -0.459796 -0.115476
C -0.225670 -4.580268 -0.189600
C -1.336665 -3.802428 0.146179
C -1.518813 1.346935 1.475463
C -0.720055 1.278350 -0.792496
C -3.932434 0.047031 -0.185808
C -0.560768 2.480386 1.255366
C -0.082449 2.437045 -0.083341
C -0.136654 3.454604 2.134661
C 0.829720 3.361559 -0.547054
C 0.791557 4.409768 1.659740
C 1.263915 4.363090 0.352348
C -6.180528 -0.771141 -0.481633
H 1.311701 0.393568 -2.708354
H 1.822234 -0.939114 -3.815296
H 4.320423 -0.169510 -3.642617
H 3.840871 1.174692 -2.542843
H 3.509450 1.513044 1.658929
H 5.218716 1.772081 1.126666
H 5.827670 -0.674689 1.819333
H 4.131030 -0.951447 2.371823
H 3.302939 -2.871699 0.111535
H 0.266240 -0.924325 1.053446
H 1.913872 -4.656528 -0.429034
H -3.281933 -2.215880 0.893007
H -2.266390 -1.218729 1.936149
H -2.210523 -0.832950 -1.152406
H -0.366899 -5.612552 -0.510384
H -2.336144 -4.223022 0.071711
H -0.502896 3.490692 3.160860
H 1.208550 3.321081 -1.567087
H 1.136646 5.191740 2.336568
H 1.981514 5.107391 0.006110
H -6.552848 -0.390043 0.474425
H -6.355701 -0.045420 -1.282513
H -6.593518 -1.756118 -0.721600


%chk=000249087-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249087

0 1
P 3.059021 -0.736971 -0.228357
O 2.053449 0.371032 0.373513
O -4.939851 -0.971420 -0.141160
O -2.305431 1.057493 2.478437
O -0.711974 0.853547 -1.947156
O -4.346104 1.276719 -0.094005
N 3.511772 -0.534360 -1.949212
N 4.669896 -0.895268 0.522126
N 2.538812 -2.384137 -0.078024
N -1.670383 0.646916 0.217732
C 2.413199 -0.129424 -2.924422
C 3.477382 0.873572 -2.527201
C 5.461769 0.366513 0.801184
C 4.819557 -0.393681 1.947033
C 1.212699 -2.890010 0.003402
C 0.122812 -2.069238 0.390413
C 0.990179 -4.261154 -0.295737
C -1.190162 -2.594640 0.445047
C -2.367790 -1.714867 0.847655
C -2.572744 -0.471845 -0.075035
C -0.313917 -4.788596 -0.214436
C -1.404368 -3.963323 0.141378
C -1.658529 1.372623 1.449857
C -0.855402 1.273844 -0.770732
C -4.020800 0.071594 -0.079349
C -0.739452 2.530542 1.222375
C -0.263914 2.474129 -0.108098
C -0.352126 3.557330 2.095433
C 0.607546 3.447121 -0.615583
C 0.530591 4.547551 1.592652
C 1.001062 4.494696 0.255629
C -6.364592 -0.560705 -0.222459
H 1.398198 0.041221 -2.545147
H 2.483629 -0.643734 -3.887380
H 4.311630 1.093057 -3.199986
H 3.161066 1.688556 -1.863551
H 5.015308 1.332818 0.534622
H 6.533740 0.269788 0.607087
H 5.427546 -1.043721 2.582301
H 3.940058 0.060506 2.420303
H 3.292107 -3.068634 -0.182979
H 0.316274 -1.026330 0.656419
H 1.829087 -4.900915 -0.596248
H -3.296319 -2.306638 0.804099
H -2.262051 -1.352642 1.886327
H -2.351642 -0.766941 -1.121631
H -0.480791 -5.847177 -0.443725
H -2.417402 -4.379139 0.186648
H -0.726328 3.589858 3.123385
H 0.961106 3.397504 -1.650432
H 0.851108 5.368793 2.242905
H 1.676331 5.277764 -0.106384
H -6.640709 0.019531 0.673376
H -6.530108 0.056007 -1.121478
H -6.924748 -1.504313 -0.275928


