%chk=000191804.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191804

0 1
P 3.586046 0.950253 0.717323
O 0.436456 -2.713084 1.267675
O 0.333306 -3.721551 -1.849914
O 2.628864 -3.078796 -1.088127
O 3.164828 -0.361259 1.596898
O 2.558248 2.126764 1.292111
O 2.832070 0.755917 -0.726338
O 5.013622 1.241703 0.736082
N -1.520890 -1.689188 0.436535
N -3.484561 -0.796478 1.258471
N -0.560341 0.422516 -0.549271
N -2.061267 2.342212 -0.302063
N -4.140074 2.213486 0.812456
C 0.291853 -2.502614 -1.135935
C -0.502584 -2.727507 0.184981
C 1.709428 -2.057799 -0.674309
C 1.701711 -2.113924 0.866260
C 1.775412 -0.763126 1.591966
C -1.502656 -0.324290 0.114736
C -2.754308 -1.905772 1.155835
C -2.741069 0.210538 0.617574
C -0.908938 1.737997 -0.725574
C -2.999605 1.592884 0.383841
C 0.114690 2.591644 -1.471673
C 0.564063 3.758164 -0.593300
C -0.476194 3.057488 -2.802115
H -0.197441 -1.788105 -1.834739
H -0.981657 -3.737280 0.240840
H 2.004178 -1.072290 -1.096039
H 2.479213 -2.820866 1.246971
H 1.537225 -0.901800 2.670011
H 1.093630 -0.000717 1.175451
H 1.117137 -4.273279 -1.551423
H 3.063707 -2.819711 -1.932419
H -3.010119 -2.883325 1.543662
H 1.017517 1.940712 -1.694363
H -0.280078 4.415851 -0.339708
H 1.316931 4.371913 -1.099779
H 0.998195 3.409533 0.355060
H -0.775102 2.211751 -3.432545
H 0.245363 3.657326 -3.368569
H -1.369145 3.680190 -2.644860
H -4.848098 1.691492 1.307847
H -4.300076 3.190768 0.623877
H 2.910423 2.783271 1.936446
H 1.942887 1.252688 -0.861445


%chk=000191804-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191804

0 1
P 3.171934 0.805345 -0.171986
O 0.712609 -1.575682 1.434329
O -0.013050 -3.770891 -1.364611
O 2.384881 -4.095569 -0.454621
O 3.867399 -0.635398 0.561394
O 2.655495 1.740460 1.227754
O 1.758618 0.309063 -0.820216
O 4.284196 1.541865 -1.029758
N -1.436810 -1.369309 0.451833
N -3.654618 -0.800431 0.678365
N -0.625590 0.841396 -0.457137
N -2.389006 2.479089 -0.679982
N -4.618383 2.010157 -0.080627
C 0.491602 -2.549325 -0.772451
C -0.257952 -2.227951 0.556743
C 1.992379 -2.677491 -0.321700
C 2.012896 -2.263063 1.173833
C 3.156669 -1.339948 1.638974
C -1.548778 -0.046660 0.024290
C -2.737629 -1.763112 0.837375
C -2.919667 0.283822 0.171224
C -1.094152 2.094633 -0.804091
C -3.325555 1.599121 -0.195339
C -0.081635 3.103691 -1.318723
C 0.279614 4.090317 -0.170412
C -0.615028 3.851719 -2.563546
H 0.389616 -1.726617 -1.496682
H -0.609688 -3.192091 0.982708
H 2.634930 -2.021775 -0.926794
H 2.028123 -3.197867 1.773733
H 3.948777 -1.939311 2.117952
H 2.747490 -0.617437 2.371619
H 0.708885 -4.453925 -1.222438
H 3.233257 -4.167840 -0.953286
H -2.933743 -2.765165 1.211704
H 0.832540 2.547722 -1.596348
H -0.618695 4.640061 0.163520
H 1.022930 4.821010 -0.536176
H 0.719932 3.552647 0.687754
H -0.832040 3.153718 -3.392152
H 0.145297 4.572024 -2.914096
H -1.541076 4.399933 -2.321382
H -5.324111 1.367617 0.276253
H -4.864780 2.959089 -0.356970
H 3.353512 2.380828 1.521270
H 0.531203 0.605825 -0.582704


