%chk=000100252.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000100252

0 1
P 2.496945 -1.587181 0.963783
O 0.175338 1.737459 -1.586077
O 1.882027 3.679693 0.291735
O -0.560855 3.892429 0.811464
O 2.329502 -0.019984 0.482679
O 3.621685 -2.138560 -0.114217
O 1.242833 -2.385048 0.292454
O 2.768635 -1.670213 2.394363
O -1.112057 -3.067657 1.465699
N -1.609142 0.720142 -0.435049
N -1.237014 -0.222797 0.467604
N -3.096442 -0.948265 -0.683428
N -3.376499 -3.015824 1.419176
C 1.329381 2.363158 0.439924
C -0.200637 2.535877 0.665228
C 1.485250 1.683408 -0.936187
C -0.858175 1.993361 -0.642024
C 1.916856 0.209183 -0.883404
C -2.746369 0.263627 -1.153758
C -2.144241 -1.231207 0.315793
C -2.137959 -2.501878 1.094488
H 1.833694 1.814770 1.268154
H -0.573845 2.040974 1.589983
H 2.124231 2.289588 -1.620589
H -1.540689 2.729862 -1.134902
H 2.786804 0.020373 -1.543862
H 1.069689 -0.454784 -1.163910
H 2.325808 3.955899 1.126375
H 0.085305 4.480983 0.314525
H -3.232303 0.820641 -1.943359
H 3.369680 -2.944927 -0.636812
H 0.413269 -2.611323 0.873292
H -4.233803 -2.636500 1.041563
H -3.438903 -3.902079 1.901793


%chk=000100252-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100252

0 1
P 2.093961 -1.576952 1.221234
O 0.107845 1.511622 -1.637159
O 1.452932 4.008436 -0.415674
O -0.434911 3.505469 1.319585
O 1.947308 0.017213 0.574283
O 3.706681 -1.899979 0.683053
O 1.277557 -2.671317 0.239410
O 1.803395 -1.558386 2.774994
O -1.130425 -3.365297 0.720329
N -1.663152 0.734973 -0.223238
N -1.137452 -0.506035 0.101502
N -3.459703 -0.552411 0.127324
N -3.443010 -3.240436 0.879728
C 1.495838 2.596532 0.012741
C 0.105357 2.336262 0.664663
C 1.532293 1.631373 -1.192138
C -0.777007 1.874905 -0.545597
C 2.153086 0.264499 -0.866291
C -3.046324 0.689053 -0.205497
C -2.260927 -1.249269 0.297985
C -2.215458 -2.691831 0.648028
H 2.313381 2.410228 0.728532
H 0.188900 1.527815 1.405014
H 2.059279 2.076070 -2.054582
H -1.443761 2.697033 -0.863889
H 3.240660 0.269984 -1.069049
H 1.664723 -0.521944 -1.470304
H 2.363492 4.384888 -0.467403
H -0.035453 4.291147 0.847393
H -3.683255 1.541086 -0.424753
H 3.894103 -2.865264 0.565254
H 0.277158 -2.901010 0.444182
H -4.273098 -2.649162 0.795327
H -3.516015 -4.226097 1.127509


