%chk=000275752.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000275752

0 1
P 0.018659 0.011278 -0.497164
O -0.008699 -0.007184 0.998311
N 1.569414 0.407820 -1.222037
N -1.071610 1.158477 -1.260407
N -0.400092 -1.504309 -1.281523
C 2.715303 0.528675 -0.269309
C -1.792651 2.080610 -0.330303
C -0.883176 -2.589402 -0.373503
C 4.012091 0.495487 -1.112009
C 2.655995 1.811269 0.593408
C -2.376803 3.226740 -1.189380
C -2.909464 1.378138 0.477276
C -1.545421 -3.666371 -1.264833
C 0.243340 -3.208403 0.487121
C 5.247884 0.607403 -0.211720
C 3.905318 1.931576 1.474975
C -3.133160 4.231462 -0.312636
C -3.678969 2.390576 1.334792
C -2.080247 -4.823010 -0.412557
C -0.290671 -4.380298 1.320153
C 5.195113 1.879626 0.645219
C -4.244018 3.539912 0.489508
C -0.965886 -5.442284 0.442067
H 2.707894 -0.363559 0.413919
H -1.048278 2.515399 0.390717
H -1.663700 -2.160843 0.312108
H 4.009927 1.318478 -1.850821
H 4.047846 -0.440583 -1.700336
H 1.755722 1.789040 1.244015
H 2.556651 2.704321 -0.048339
H -3.053969 2.818841 -1.962826
H -1.559746 3.732519 -1.737334
H -2.467837 0.604626 1.141126
H -3.602858 0.850214 -0.200795
H -0.819194 -4.050138 -2.005426
H -2.364506 -3.209511 -1.851362
H 0.662778 -2.440393 1.171587
H 1.077169 -3.546406 -0.152982
H 1.555851 1.186494 -1.907303
H -1.707764 0.761046 -1.976978
H 0.292400 -1.857904 -1.968214
H 6.163845 0.605934 -0.831476
H 5.320073 -0.282979 0.442340
H 3.908605 1.117069 2.226015
H 3.864238 2.874898 2.051212
H -3.563660 5.030222 -0.944880
H -2.429054 4.734529 0.377985
H -3.010095 2.795158 2.119925
H -4.499006 1.876717 1.870582
H -2.528566 -5.593835 -1.066715
H -2.898426 -4.463281 0.240868
H -1.010323 -4.002155 2.072882
H 0.537542 -4.835753 1.894798
H 6.075494 1.923065 1.312583
H 5.258281 2.772535 -0.005489
H -4.752652 4.273650 1.141625
H -5.018314 3.152610 -0.199810
H -1.378767 -6.249042 1.075316
H -0.213149 -5.920566 -0.213167


%chk=000275752-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000275752

0 1
P 0.082037 0.057118 -0.220050
O 0.059526 0.069265 1.388652
N 1.520851 0.738739 -0.929128
N -1.226863 0.931288 -0.968167
N -0.012313 -1.515297 -0.969262
C 2.812600 0.730940 -0.200526
C -1.960889 1.998651 -0.245695
C -0.751914 -2.630980 -0.331848
C 3.987775 0.634576 -1.203007
C 2.977808 1.955682 0.738181
C -2.566115 2.998307 -1.259737
C -3.052590 1.434151 0.702939
C -1.240366 -3.627328 -1.410546
C 0.077390 -3.357341 0.760756
C 5.353551 0.616161 -0.473584
C 4.344098 1.933713 1.465245
C -3.346935 4.128961 -0.545113
C -3.825902 2.568928 1.416212
C -2.029110 -4.803023 -0.782379
C -0.718524 -4.525925 1.389538
C 5.516592 1.840033 0.459471
C -4.435569 3.560269 0.396931
C -1.204353 -5.523696 0.311145
H 2.814783 -0.178916 0.434932
H -1.217423 2.534809 0.379339
H -1.640667 -2.184558 0.162186
H 3.947999 1.510798 -1.885171
H 3.862500 -0.268869 -1.829508
H 2.143601 1.955709 1.464132
H 2.896057 2.882184 0.129654
H -3.257278 2.447977 -1.933988
H -1.758831 3.413979 -1.891979
H -2.567217 0.764197 1.436639
H -3.760624 0.823867 0.101866
H -0.355947 -4.027747 -1.951573
H -1.858775 -3.090166 -2.154551
H 0.372045 -2.619399 1.529598
H 1.006960 -3.749809 0.295118
H 1.365021 1.516389 -1.577642
H -1.760232 0.400364 -1.663700
H 0.795970 -1.769778 -1.545254
H 6.175877 0.584725 -1.214621
H 5.431528 -0.312515 0.129290
H 4.377237 1.059457 2.147989
H 4.449801 2.835117 2.099346
H -3.800645 4.804733 -1.295963
H -2.637563 4.741388 0.049204
H -3.131509 3.115441 2.087452
H -4.618127 2.140726 2.060226
H -2.330311 -5.517740 -1.572802
H -2.965048 -4.412301 -0.331620
H -1.596749 -4.116779 1.931023
H -0.095838 -5.045393 2.143250
H 6.481985 1.781622 0.998956
H 5.545967 2.764697 -0.153957
H -4.951919 4.386191 0.923877
H -5.203384 3.034718 -0.208513
H -1.808745 -6.327644 0.774631
H -0.324584 -6.012465 -0.157093


