%chk=000191202.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191202

0 1
P 4.893903 0.163359 -0.213416
O 0.888916 -0.188705 1.371419
O 3.646698 -0.738530 -0.871305
O 4.543092 0.393678 1.377437
O 1.450867 -2.447481 -0.915425
O 4.477771 1.646523 -0.823965
O 6.228322 -0.344128 -0.497436
O -5.043928 -2.182529 0.753177
N -0.908767 0.091256 -0.075497
N -1.964635 2.082792 -0.570742
N -2.898263 -1.301320 0.425631
N -4.994968 -0.000650 0.128708
N -5.029501 2.313170 -0.542204
C 2.384569 -0.201978 -0.447212
C 2.295359 -0.337126 1.096877
C 1.182733 -1.052889 -0.906384
C 0.160996 -0.838869 0.270961
C 3.178163 0.717197 1.756261
C -2.287228 -0.153846 0.076301
C -0.786542 1.492362 -0.442864
C -2.931724 1.098014 -0.261465
C -4.340035 1.166544 -0.229530
C -4.279514 -1.295987 0.472057
H 2.277368 0.846949 -0.819591
H 2.586387 -1.364822 1.437170
H 0.779200 -0.777186 -1.902414
H -0.247806 -1.807769 0.665396
H 2.942582 1.759767 1.474215
H 3.208051 0.633529 2.862492
H 2.403973 -2.611349 -1.143061
H 0.185823 1.942593 -0.578230
H 5.158740 2.144007 -1.340115
H -6.018023 -0.035790 0.174608
H -4.512811 3.151960 -0.786950
H -6.031269 2.377754 -0.501703


%chk=000191202-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191202

0 1
P 5.038905 0.069527 -0.252552
O 0.881082 -0.029765 1.392287
O 3.629560 -0.696114 -0.964044
O 4.645661 0.195777 1.428846
O 1.405391 -2.356593 -0.884852
O 4.823830 1.695266 -0.809998
O 6.412666 -0.625345 -0.574927
O -4.947406 -2.255973 0.986977
N -0.982560 0.237627 -0.081434
N -2.122491 2.128250 -0.716228
N -2.855322 -1.232684 0.530557
N -4.984300 -0.064180 0.185196
N -5.188562 2.189814 -0.631541
C 2.376679 -0.143840 -0.405212
C 2.291879 -0.337040 1.123202
C 1.140973 -0.923253 -0.889997
C 0.105570 -0.652485 0.254659
C 3.258974 0.589214 1.859327
C -2.347900 -0.071353 0.089442
C -0.917746 1.570084 -0.557089
C -3.023416 1.117474 -0.321225
C -4.429613 1.112375 -0.266044
C -4.240034 -1.288104 0.604790
H 2.298737 0.931756 -0.658408
H 2.523656 -1.392984 1.370145
H 0.770135 -0.585061 -1.874924
H -0.336773 -1.610185 0.582989
H 3.081682 1.653799 1.621356
H 3.269342 0.434812 2.948008
H 2.279249 -2.514408 -1.330947
H 0.027904 2.073866 -0.741846
H 5.613052 2.082776 -1.266454
H -5.999059 -0.181107 0.266032
H -4.696618 3.023626 -0.951371
H -6.204628 2.194932 -0.591520


