%chk=000191632.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191632

0 1
P 4.994244 -0.581865 0.626341
O 1.745229 1.522642 -1.067389
O 4.616012 0.954718 1.092365
O 3.709737 -1.023232 -0.297837
O 1.961339 2.659230 2.036678
O 6.127561 -0.264792 -0.529518
O 5.376437 -1.476024 1.711457
N 0.284141 0.229342 0.273305
N -0.294922 -1.997276 0.189000
N -4.396432 1.781669 -0.273722
N -6.132276 0.095667 -0.437303
N -5.677851 -2.189056 -0.443909
C 3.546661 1.662768 0.480705
C 3.171554 1.301530 -0.978468
C 2.229943 1.473169 1.292758
C 1.100857 1.438390 0.225208
C 3.476672 -0.135030 -1.420092
C -1.124010 0.201083 0.090677
C 0.715451 -1.149973 0.295268
C -1.478414 -1.213052 0.057615
C -2.072905 1.193687 -0.016325
C -2.791279 -1.610335 -0.081579
C -3.424853 0.784128 -0.161086
C -3.783754 -0.610229 -0.190544
C -5.204731 -0.894663 -0.343505
C -5.670558 1.402252 -0.405782
H 3.895551 2.726131 0.562936
H 3.579473 2.033436 -1.716036
H 2.256337 0.593401 1.967114
H 0.449712 2.354009 0.269437
H 2.582573 -0.593881 -1.903306
H 4.333352 -0.193585 -2.123208
H 2.457083 2.647756 2.889012
H 1.767699 -1.412375 0.400429
H -1.839181 2.257155 0.001536
H -3.041914 -2.670546 -0.107773
H 7.060346 -0.551116 -0.353632
H -6.447442 2.180542 -0.494069
H -6.676374 -2.347675 -0.473818
H -5.097366 -2.973200 -0.207039


%chk=000191632-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191632

0 1
P 4.994776 -0.331321 0.923036
O 1.820094 1.279852 -1.434469
O 4.747472 1.390162 0.839384
O 3.994838 -0.844635 -0.403781
O 1.720685 2.214775 2.012157
O 6.609824 -0.358381 0.349717
O 4.707740 -1.102741 2.271445
N 0.228214 0.111843 -0.061687
N -0.412331 -2.094518 -0.139925
N -4.440284 1.836001 -0.006554
N -6.236272 0.175709 -0.044577
N -5.856554 -2.112872 -0.112223
C 3.461223 1.832364 0.243956
C 3.283667 1.405814 -1.241189
C 2.196160 1.310318 0.978080
C 1.107203 1.262297 -0.124091
C 4.014696 0.094016 -1.575037
C -1.183467 0.128420 -0.069783
C 0.617966 -1.246696 -0.115165
C -1.565702 -1.266288 -0.107264
C -2.119321 1.161866 -0.032618
C -2.916154 -1.629670 -0.109811
C -3.498115 0.802046 -0.040081
C -3.895999 -0.599087 -0.077616
C -5.335012 -0.840684 -0.077902
C -5.729521 1.458114 -0.010679
H 3.499538 2.928055 0.343501
H 3.627618 2.189686 -1.939657
H 2.374347 0.295227 1.386230
H 0.489434 2.173481 -0.049203
H 3.485171 -0.449252 -2.372314
H 5.063468 0.282115 -1.870609
H 2.249265 2.090395 2.839598
H 1.667764 -1.537991 -0.150689
H -1.869822 2.225646 0.004920
H -3.172556 -2.693835 -0.136313
H 7.181962 -1.044529 0.780120
H -6.480154 2.255030 0.015953
H -6.871428 -2.200468 -0.109824
H -5.276733 -2.945465 -0.139136


