%chk=000194303.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194303

0 1
P 4.160144 -0.345723 -0.373145
O 4.044419 -1.438347 0.856917
O 5.685144 0.176706 0.017820
O 3.966238 -0.829888 -1.745436
O 1.804629 -0.610895 0.309775
O -1.090754 1.831323 -1.081821
N 0.844335 1.423423 0.817868
N -0.445377 0.870447 0.905622
N -4.848757 -1.425648 0.024827
C 3.231479 1.228761 0.127561
C 1.908561 0.617570 0.380129
C -2.546873 0.159407 -0.114138
C -1.320122 1.012458 -0.221257
C -3.775224 0.742367 0.209847
C -2.464817 -1.213138 -0.371671
C -4.906197 -0.091972 0.269693
C -3.646706 -1.970594 -0.294247
H 3.266999 1.980211 -0.683631
H 3.710051 1.708139 1.004565
H 0.837177 2.435718 0.625115
H -0.463632 -0.003264 1.456423
H -3.859451 1.811347 0.402104
H -1.520127 -1.685921 -0.640681
H 3.195562 -1.972626 0.905749
H 6.394752 -0.512259 0.060364
H -5.896331 0.311201 0.519066
H -3.643121 -3.050505 -0.492119


%chk=000194303-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194303

0 1
P 4.693978 -0.052280 -0.435004
O 4.661610 -1.549645 0.404944
O 6.058742 0.750284 0.250791
O 4.654943 -0.104252 -2.022877
O 1.998967 -1.097785 0.762846
O -1.359755 2.133593 -0.264397
N 0.899502 0.836332 0.200837
N -0.318547 0.154118 0.246739
N -5.344331 -1.075692 0.083139
C 3.342022 0.948318 0.432215
C 2.050590 0.157778 0.478431
C -2.771833 0.158286 0.032864
C -1.465826 0.888035 -0.009916
C -3.949824 0.921225 -0.160176
C -2.905469 -1.237739 0.248071
C -5.200336 0.268305 -0.126422
C -4.200903 -1.801281 0.264641
H 3.244100 1.921677 -0.073489
H 3.721316 1.110567 1.456279
H 0.794830 1.829369 -0.044976
H -0.227742 -0.839214 0.478086
H -3.868877 1.998260 -0.332582
H -2.046108 -1.901398 0.394376
H 3.710288 -1.784836 0.662106
H 6.918928 0.572733 -0.206424
H -6.129568 0.829383 -0.271078
H -4.338694 -2.875843 0.426272


