%chk=000298722.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298722

0 1
P 0.137285 -0.650149 0.969584
O 0.020912 -1.911653 -0.188390
C -0.256692 -3.224053 0.386897
C 1.610192 0.278450 0.273668
C -1.286797 0.457740 0.448071
C -1.758539 -3.373221 0.618883
C 0.261745 -4.160248 -0.703934
C 2.014668 1.464394 0.888367
C -1.991920 0.187686 -0.725187
C 2.310971 -0.245775 -0.813034
C -1.641965 1.525094 1.273280
C 3.142604 2.136704 0.401774
C -3.072719 1.003690 -1.080025
C 3.439082 0.430531 -1.293077
C -2.721642 2.340578 0.910445
C 3.853997 1.620015 -0.686147
C -3.435648 2.079654 -0.263415
H 0.315278 -3.369650 1.330740
H -2.048203 -4.425619 0.707909
H -2.096475 -2.866973 1.529996
H -2.328410 -2.945551 -0.216978
H 0.114608 -5.211285 -0.440225
H 1.331613 -3.995179 -0.881851
H -0.247650 -3.972074 -1.657917
H 1.477176 1.888536 1.736674
H -1.712975 -0.649232 -1.372251
H 1.991090 -1.172504 -1.299240
H -1.105770 1.746461 2.196352
H 3.466011 3.063213 0.871403
H -3.628120 0.802495 -1.993590
H 3.991483 0.030513 -2.140660
H -3.005850 3.177804 1.544311
H 4.730685 2.144973 -1.060781
H -4.274523 2.714833 -0.541853


%chk=000298722-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298722

0 1
P 0.280822 -0.608091 1.112543
O 0.168065 -1.959840 -0.069823
C -0.316301 -3.266781 0.457887
C 1.678820 0.292615 0.217276
C -1.176956 0.466852 0.558151
C -1.837007 -3.231952 0.689601
C 0.104541 -4.298654 -0.596284
C 1.979918 1.627907 0.588603
C -1.426035 0.750901 -0.807911
C 2.469785 -0.357447 -0.759417
C -2.056841 0.965667 1.549808
C 3.061062 2.307460 -0.015534
C -2.544711 1.530340 -1.175618
C 3.550994 0.326719 -1.363642
C -3.172650 1.755540 1.181876
C 3.851247 1.657478 -0.993474
C -3.417714 2.036604 -0.181365
H 0.203038 -3.472446 1.418764
H -2.201788 -4.221306 1.023904
H -2.107987 -2.487938 1.460622
H -2.356414 -2.960493 -0.246617
H -0.199283 -5.315020 -0.285061
H 1.199036 -4.285274 -0.737513
H -0.374897 -4.069108 -1.564471
H 1.368106 2.144532 1.338786
H -0.746398 0.361279 -1.573794
H 2.221939 -1.384039 -1.046086
H -1.873093 0.736516 2.606976
H 3.283778 3.340549 0.274691
H -2.734118 1.747501 -2.233066
H 4.156336 -0.181290 -2.123332
H -3.847239 2.142481 1.954037
H 4.690605 2.184448 -1.461403
H -4.283158 2.644488 -0.469315


