%chk=000196384.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196384

0 1
P 5.396308 -0.286047 -0.031793
O 1.272321 0.401643 -0.761884
O 3.956951 -1.090975 0.139133
O 0.681991 1.882275 0.945739
O 4.069197 1.545642 0.361865
O -0.136304 -2.398620 -0.169070
O -2.722290 -4.166304 1.760688
O -3.125970 -3.386696 -1.186286
O 6.252718 -1.579457 -0.542601
O 5.258936 0.442641 -1.499822
O 5.963587 0.426595 1.130957
O -2.906607 -0.382363 0.824010
O -4.814238 0.409707 -0.581513
N -4.482340 3.444919 -0.495375
C 2.842867 -0.514608 0.808453
C 1.619976 -0.843529 -0.092239
C 2.856186 1.041671 0.919883
C 1.703776 1.520221 -0.001184
C 0.399541 -1.351755 0.681008
C -0.787723 -3.470924 0.526329
C -2.168747 -3.048994 1.063395
C -3.163349 -2.566373 -0.018090
C -2.904461 -1.096103 -0.422775
C -0.563734 2.294612 0.474542
C -4.023495 -0.528660 -1.322426
C -1.029450 2.090855 -0.828251
C -1.356952 2.892945 1.467403
C -2.331875 2.474055 -1.140368
C -2.661261 3.258592 1.152459
C -3.165606 3.040085 -0.150732
H 2.804340 -1.004725 1.807356
H 1.887613 -1.528012 -0.935090
H 2.725565 1.395348 1.965218
H 1.914606 2.333790 -0.714346
H 0.647372 -1.746522 1.679049
H -0.381815 -0.566894 0.773248
H 4.701295 1.878126 1.111168
H -0.862295 -4.245523 -0.261789
H -0.154640 -3.856989 1.345181
H -2.081405 -2.271459 1.865527
H -4.208519 -2.713013 0.351026
H -1.898591 -0.988578 -0.895982
H -3.628078 0.075198 -2.159220
H -4.683590 -1.320581 -1.724524
H -3.006772 -4.865214 1.128041
H -0.396966 1.626561 -1.586686
H -0.948518 3.053102 2.463936
H -2.251327 -3.317206 -1.636367
H 6.013975 -1.937908 -1.444612
H 4.762869 1.302977 -1.559355
H -2.817186 0.592440 0.651589
H -2.707335 2.342205 -2.153867
H -3.288436 3.724108 1.910532
H -5.040813 0.028908 0.302783
H -4.931381 2.851377 -1.189205
H -5.102423 3.591835 0.291334


%chk=000196384-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196384

0 1
P 5.172039 0.393203 -0.014021
O 0.731146 -0.320152 -0.834151
O 3.757222 -0.434531 -0.591240
O -0.208010 1.301646 0.675854
O 2.965518 1.580913 1.247957
O -0.155351 -3.125981 -0.423276
O -2.683132 -4.945960 1.713029
O -3.672264 -3.369030 -0.558951
O 6.369558 -0.182423 -1.064881
O 5.062780 1.989060 -0.641205
O 5.427045 0.189492 1.543788
O -1.838953 -0.839047 1.521225
O -4.524790 -0.225471 1.464321
N -3.668948 4.975362 -1.901301
C 2.732785 -0.802619 0.410918
C 1.586763 -1.462396 -0.375510
C 2.055954 0.461260 1.022136
C 1.000232 0.866654 -0.020899
C 0.800702 -2.471515 0.468478
C -0.916958 -4.196827 0.242542
C -2.008382 -3.721789 1.235362
C -3.068699 -2.763851 0.654331
C -2.616276 -1.318035 0.354493
C -1.045080 2.236500 -0.032168
C -3.839035 -0.388809 0.179080
C -1.238548 2.169521 -1.429034
C -1.720465 3.196733 0.746390
C -2.105153 3.090473 -2.051181
C -2.599085 4.104226 0.125791
C -2.803709 4.070383 -1.286138
H 3.187297 -1.452207 1.179595
H 1.958522 -1.950029 -1.291169
H 1.541892 0.179570 1.961429
H 1.340683 1.684528 -0.681440
H 1.508764 -3.227400 0.879224
H 0.269600 -1.972661 1.304791
H 3.583326 1.361162 1.999984
H -1.385139 -4.763194 -0.582632
H -0.231866 -4.882142 0.782859
H -1.569102 -3.263760 2.134798
H -3.906690 -2.732535 1.373861
H -1.978502 -1.305031 -0.553241
H -3.509051 0.593862 -0.218848
H -4.571323 -0.837787 -0.512968
H -3.333943 -5.204897 1.006240
H -0.739610 1.395900 -2.022716
H -1.554518 3.227115 1.827637
H -3.028242 -3.275642 -1.309154
H 6.658188 0.476171 -1.748023
H 4.294230 2.480457 -0.238815
H -1.277057 -0.053907 1.242612
H -2.255394 3.039541 -3.136060
H -3.128767 4.845898 0.734871
H -3.795876 -0.121510 2.136312
H -3.836372 4.939435 -2.902216
H -4.192459 5.650472 -1.352270


