%chk=000196172.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196172

0 1
P 3.848376 1.161895 -0.943270
P 1.275838 2.847279 -0.422106
P -0.309427 2.003466 2.062274
O 1.258447 -1.020822 0.979621
O -0.091390 -3.839675 1.832605
O 2.364531 -4.150706 1.531115
O 3.929585 -0.247350 -0.142798
O 2.254784 1.596745 -0.845504
O 3.726087 0.585454 -2.486626
O 4.853912 2.162189 -0.633734
O 0.179581 2.023695 0.471545
O 0.468945 2.996950 -1.814707
O 1.842235 4.036428 0.191943
O -1.780486 1.283215 1.754587
O -0.843193 3.545187 2.202842
O 0.636280 1.496867 3.045413
O -1.700021 0.193691 2.693462
N -0.701533 -1.091848 -0.294138
N -1.059827 0.178729 -2.181755
N -3.100920 -1.420390 0.382177
N -4.670618 -0.411815 -1.203745
N -3.985148 0.786963 -3.120748
C 0.313362 -3.205157 0.619527
C 1.865454 -3.314942 0.506372
C 0.013665 -1.700862 0.854848
C 2.394434 -1.867062 0.655567
C 3.073992 -1.327264 -0.606393
C -2.092133 -0.947452 -0.420449
C -0.130924 -0.363747 -1.387019
C -2.298878 -0.176064 -1.617971
C -3.650880 0.081869 -1.997961
C -4.348329 -1.116950 -0.078326
H -0.225618 -3.642117 -0.243169
H 2.203701 -3.821023 -0.422560
H -0.552890 -1.499162 1.809326
H 3.067706 -1.739676 1.541990
H 2.336662 -0.996362 -1.371118
H 3.776013 -2.065829 -1.048411
H -0.081815 -4.821540 1.718096
H 1.973944 -3.890034 2.413632
H 0.951456 -0.277420 -1.503985
H -5.201122 -1.478622 0.523989
H -3.268669 1.180293 -3.710769
H -4.951851 0.968545 -3.346719
H 3.767776 1.228598 -3.234601
H -0.124537 2.228406 -2.101845
H -0.179064 4.257626 2.420637
H -2.547189 -0.292799 2.395561


%chk=000196172-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196172

0 1
P 3.757209 1.415056 -0.475116
P 0.691577 2.490232 -0.818251
P -0.382747 1.962667 2.061663
O 1.302073 -1.062601 0.778200
O 0.567748 -3.884464 2.006218
O 2.544751 -4.516865 0.372564
O 3.905213 -0.081231 0.318955
O 2.113694 1.542765 -1.075085
O 4.478507 0.978581 -1.977495
O 4.303700 2.650898 0.328284
O -0.231377 1.556328 0.311803
O -0.076499 2.290561 -2.283591
O 0.885772 3.976074 -0.282895
O -2.048575 1.432461 2.331755
O -0.650291 3.635276 2.006115
O 0.752435 1.350067 2.962934
O -2.042797 0.002903 2.855116
N -0.759459 -1.273708 -0.376020
N -1.074108 -0.085041 -2.298717
N -3.037333 -0.984653 0.610099
N -4.573766 0.182545 -0.900534
N -3.911265 1.060262 -2.979118
C 0.375876 -3.294071 0.681092
C 1.807786 -3.316972 0.060169
C 0.036949 -1.782310 0.781232
C 2.436326 -2.010348 0.634986
C 3.471158 -1.367291 -0.282653
C -2.098426 -0.851189 -0.372820
C -0.195561 -0.780424 -1.543694
C -2.291584 -0.159898 -1.593770
C -3.590325 0.371401 -1.849094
C -4.252332 -0.442267 0.257958
H -0.370090 -3.854852 0.088197
H 1.744984 -3.273725 -1.042285
H -0.531303 -1.531880 1.696491
H 2.865057 -2.201072 1.635655
H 3.074602 -1.203306 -1.301943
H 4.371703 -2.002362 -0.344091
H -0.291488 -4.023328 2.473378
H 2.294681 -4.775257 1.302257
H 0.867668 -0.835927 -1.749636
H -5.041604 -0.506731 1.011697
H -3.214660 1.254601 -3.695726
H -4.854317 1.437821 -3.065981
H 4.466053 1.682403 -2.674917
H -0.484606 1.324770 -2.500609
H -0.098634 4.101887 1.288157
H -2.532071 -0.480387 2.055767


