%chk=000194661.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194661

0 1
P -4.716595 0.861865 -1.078162
O -1.289519 1.486109 1.343419
O 1.997972 1.938555 1.003011
O 0.565353 3.853300 0.135132
O -3.557067 1.715883 -0.306563
O -2.504219 -4.727299 0.160386
O -5.259579 1.903569 -2.219469
O -3.822296 -0.164633 -1.996947
O -5.712917 0.272980 -0.175284
N -0.372526 -0.659033 1.037840
N 1.973059 -1.388644 0.776706
N -0.038422 -2.881749 0.513862
N -2.893426 -0.769376 1.260478
N -3.816565 -2.941047 0.777422
N 7.815214 3.677398 -0.530365
C -0.060977 0.752628 1.357904
C 0.887168 1.399079 0.301463
C 0.092770 2.595386 -0.295658
C -1.365056 2.372394 0.190208
C -2.232516 1.738440 -0.903386
C -1.625806 -1.281865 1.000111
C 0.580977 -1.716281 0.752595
C -1.406810 -2.641117 0.648788
C 2.710384 -1.888022 -0.434914
C 4.192918 -1.510151 -0.321875
C 4.426215 0.001569 -0.430053
C -2.537258 -3.572176 0.493073
C 5.907651 0.360367 -0.260740
C -3.970184 -1.702448 1.135337
C 6.135369 1.868487 -0.413253
C 7.619451 2.227749 -0.231164
H 0.325695 0.836097 2.404727
H 1.221937 0.688791 -0.483479
H 0.177592 2.655402 -1.404221
H -1.836145 3.289219 0.616017
H -2.263923 2.371334 -1.813789
H -1.902551 0.708416 -1.154230
H 2.780209 1.301894 0.927060
H 1.020249 3.786504 1.016556
H 2.404546 -1.762689 1.638643
H 2.251115 -1.429145 -1.337580
H 2.605326 -2.991200 -0.562009
H -3.011299 0.218642 1.522939
H 4.752781 -2.033576 -1.124952
H 4.618051 -1.894811 0.626700
H 3.822617 0.531475 0.345337
H 4.057873 0.370970 -1.407605
H 6.514396 -0.187646 -1.009189
H 6.270663 0.018687 0.727977
H -4.976272 -1.276132 1.343126
H 5.800272 2.210584 -1.415092
H 5.516579 2.428841 0.312982
H 8.239918 1.650926 -0.954249
H 7.961373 1.937837 0.785646
H -6.206948 2.198836 -2.165134
H -4.190975 -1.071996 -2.182552
H 7.268218 4.253669 0.101608
H 8.788645 3.935952 -0.401440


%chk=000194661-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194661

0 1
P -5.462468 1.059693 -0.900076
O -1.668255 1.302329 1.129878
O 1.680465 1.517758 -0.308098
O 0.278180 3.680215 0.505814
O -4.027426 1.556598 -0.114506
O -1.669184 -5.163584 0.309262
O -6.332240 2.485727 -1.325545
O -4.812981 0.657170 -2.427706
O -6.254785 -0.013455 -0.051097
N -0.395462 -0.697093 0.923822
N 2.052731 -1.007605 0.776359
N 0.371209 -2.831719 0.611737
N -2.855673 -1.212786 0.888267
N -3.381764 -3.552190 0.558619
N 8.539211 3.428089 -0.713381
C -0.319563 0.772699 0.974871
C 0.241235 1.377926 -0.342718
C -0.440072 2.769382 -0.373647
C -1.835840 2.487518 0.227511
C -2.879259 2.154760 -0.846554
C -1.513011 -1.522147 0.826195
C 0.727263 -1.555913 0.786280
C -1.038981 -2.837295 0.632701
C 3.064897 -1.883181 0.075955
C 4.501877 -1.421744 0.373580
C 4.864627 -0.001686 -0.121858
C -1.983609 -3.957115 0.486708
C 6.363893 0.323147 0.065925
C -3.735938 -2.295078 0.735795
C 6.739152 1.741411 -0.417403
C 8.235624 2.065114 -0.231968
H 0.310272 1.082238 1.832245
H -0.095018 0.757688 -1.199578
H -0.497267 3.177158 -1.403260
H -2.170131 3.322436 0.863615
H -3.203087 3.073883 -1.369349
H -2.513636 1.419468 -1.585030
H 2.034484 0.604886 0.016514
H 1.242318 3.432224 0.428230
H 2.383221 -0.799958 1.735309
H 2.849224 -1.827563 -1.006498
H 2.918050 -2.934096 0.386902
H -3.174665 -0.239203 0.983593
H 5.181734 -2.153179 -0.106518
H 4.698416 -1.499585 1.464772
H 4.265048 0.762725 0.413298
H 4.599995 0.092400 -1.194849
H 6.970339 -0.425126 -0.486286
H 6.633248 0.211295 1.137637
H -4.797077 -2.019113 0.761700
H 6.488333 1.862521 -1.488652
H 6.131900 2.489935 0.135571
H 8.833808 1.351491 -0.831547
H 8.508852 1.889858 0.839429
H -7.041791 2.744115 -0.682561
H -5.443815 0.318690 -3.110400
H 8.027790 4.165069 -0.216854
H 9.538304 3.641596 -0.788459


