%chk=000298429.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298429

0 1
P 0.004124 -0.009332 -0.159910
O 0.015994 -0.018424 -1.666491
O -4.461355 -0.350327 0.666246
O 1.927708 4.030050 0.690671
O 2.528851 -3.690828 0.739072
N -4.983486 1.475593 -0.593683
N 3.790372 3.566956 -0.538168
N 1.217479 -5.076396 -0.507726
C -1.717301 0.055736 0.593520
C 0.908234 1.450663 0.605739
C 0.803374 -1.520605 0.622758
C -2.611590 0.878980 -0.318936
C 2.083618 1.811529 -0.287753
C 0.544737 -2.720578 -0.273498
C -4.074511 0.593968 -0.004298
C 2.562947 3.221618 0.031980
C 1.521905 -3.839160 0.064510
C -6.440332 1.361108 -0.333290
C 4.415284 4.886389 -0.270068
C 2.044378 -6.275924 -0.223706
C -6.963478 2.565444 0.445586
C 5.707045 4.738841 0.530147
C 1.259030 -7.319684 0.566584
H -2.130732 -0.973862 0.701311
H -1.702712 0.460757 1.621419
H 0.221564 2.323687 0.699999
H 1.234276 1.237800 1.639771
H 1.900855 -1.361727 0.736291
H 0.437671 -1.694924 1.650699
H -2.395094 1.963550 -0.222633
H -2.432737 0.631092 -1.397656
H 2.912872 1.081969 -0.175796
H 1.797823 1.778172 -1.371397
H -0.503100 -3.074849 -0.178871
H 0.676944 -2.457913 -1.355463
H -4.680131 2.299990 -1.097115
H 4.360831 2.891081 -1.030988
H 0.355136 -5.234370 -1.014185
H -6.632633 0.416930 0.235200
H -6.965940 1.266513 -1.309945
H 3.684600 5.526031 0.285440
H 4.611968 5.387061 -1.244601
H 2.954467 -5.960833 0.345581
H 2.395408 -6.698557 -1.191811
H -6.461807 2.665000 1.417037
H -6.820148 3.506741 -0.095909
H -8.037046 2.463006 0.645809
H 5.526717 4.256399 1.499700
H 6.459284 4.143117 0.001894
H 6.151754 5.720206 0.735779
H 0.915722 -6.920335 1.529891
H 0.375784 -7.675297 0.025089
H 1.883978 -8.194453 0.784178


%chk=000298429-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298429

0 1
P 0.143848 0.076119 -0.009353
O 0.130998 0.144829 -1.638129
O -4.296237 -0.637967 0.314375
O 1.934811 4.210651 0.529558
O 2.596781 -3.797791 0.253587
N -4.928750 1.440960 -0.525804
N 3.981326 3.672682 -0.445997
N 0.825568 -5.142427 -0.443055
C -1.600794 0.232783 0.707641
C 1.193020 1.457935 0.741402
C 0.843069 -1.559880 0.620946
C -2.524109 0.972692 -0.277518
C 2.290490 1.895253 -0.245776
C 0.464101 -2.708537 -0.331268
C -3.983097 0.514979 -0.119642
C 2.708601 3.354661 -0.002560
C 1.392402 -3.917206 -0.133329
C -6.378065 1.174784 -0.502787
C 4.551112 5.028644 -0.353689
C 1.565652 -6.414076 -0.357587
C -7.133536 2.095275 0.477992
C 5.782821 5.091489 0.573092
C 1.021041 -7.344098 0.746592
H -2.006153 -0.784218 0.864744
H -1.542630 0.733380 1.690641
H 0.537847 2.325731 0.942616
H 1.607000 1.112648 1.705886
H 1.944991 -1.482223 0.658819
H 0.477741 -1.733055 1.649669
H -2.440488 2.070188 -0.166510
H -2.189978 0.732990 -1.310907
H 3.168379 1.223273 -0.199306
H 1.882344 1.811634 -1.276490
H -0.596268 -3.001126 -0.208764
H 0.575244 -2.344399 -1.374564
H -4.607531 2.354961 -0.851217
H 4.555028 2.931202 -0.853037
H -0.155758 -5.168447 -0.727314
H -6.488614 0.117719 -0.207116
H -6.788790 1.285310 -1.525724
H 3.742424 5.673190 0.030462
H 4.816529 5.386158 -1.368139
H 2.614943 -6.142449 -0.152035
H 1.532298 -6.924155 -1.340189
H -6.756419 1.959375 1.506465
H -7.021126 3.161514 0.205212
H -8.212991 1.857525 0.469280
H 5.514189 4.780763 1.597658
H 6.597282 4.434746 0.213451
H 6.176150 6.123655 0.614777
H 1.091652 -6.855731 1.733974
H -0.036795 -7.613518 0.567410
H 1.607052 -8.280795 0.779560


