%chk=000194308.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194308

0 1
P 2.394616 1.193734 -0.223318
P 1.499763 -1.740601 -0.049477
O 1.374837 2.439951 -0.222455
O 1.362486 -0.121989 -0.228260
O 2.817388 1.109792 1.365189
O 3.434662 1.179794 -1.241455
O 0.459629 -1.933722 1.185926
O 2.965236 -1.708433 0.732170
O 1.401387 -2.655198 -1.174095
N -2.116091 0.167205 1.367336
N -3.162417 -0.215857 1.941029
N -4.024071 -0.456595 2.640321
C -1.021739 2.265046 -0.250402
C -1.225385 0.876366 -0.782797
C 0.205382 2.372362 0.655500
C -1.821969 -0.142122 -0.007008
C -0.798326 0.556743 -2.082013
C -2.011762 -1.434750 -0.530368
C -0.974371 -0.726932 -2.599863
C -1.585800 -1.721110 -1.826462
H -1.919685 2.596860 0.316404
H -0.913046 2.989870 -1.088781
H 0.272037 1.551287 1.392047
H 0.245970 3.349907 1.178055
H -0.311127 1.321984 -2.689382
H -2.460387 -2.219689 0.076155
H -0.619471 -0.963247 -3.603744
H -1.704895 -2.728181 -2.229017
H 3.411006 0.355447 1.644782
H 0.127917 -1.100615 1.639210
H 3.655326 -2.360309 0.460372


%chk=000194308-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194308

0 1
P 2.629368 1.239632 -0.301858
P 2.011721 -1.891369 -0.091501
O 1.368825 2.360706 -0.479595
O 1.758776 -0.287502 -0.613078
O 2.856823 1.134766 1.386932
O 3.856184 1.495258 -1.251313
O 0.513864 -2.286733 0.604853
O 2.957559 -1.521989 1.331223
O 2.677764 -2.942129 -1.059973
N -2.268018 0.461927 1.400491
N -2.805598 -0.318575 2.240452
N -3.294443 -0.883745 3.160679
C -1.083518 2.398745 -0.282228
C -1.394992 1.005313 -0.794150
C 0.241961 2.478875 0.496195
C -1.973479 0.026342 0.065086
C -1.087261 0.621070 -2.119536
C -2.224916 -1.298372 -0.391637
C -1.336006 -0.687268 -2.592007
C -1.910147 -1.647194 -1.727330
H -1.879118 2.741956 0.405577
H -1.033430 3.114206 -1.121714
H 0.316737 1.701208 1.275829
H 0.365679 3.471502 0.961245
H -0.628020 1.360552 -2.783881
H -2.713071 -2.026774 0.267812
H -1.079008 -0.957677 -3.620459
H -2.116338 -2.661981 -2.083530
H 3.050622 0.184406 1.685872
H -0.308564 -2.022469 0.087959
H 3.487146 -2.265691 1.709184


