%chk=000192276.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192276

0 1
P 7.376924 -0.118979 0.550257
O 4.271293 1.251052 -1.326604
O 0.807218 1.586088 -0.481937
O 6.513510 1.242739 0.844997
O 2.159390 -4.963969 0.492584
O 0.428423 3.096444 1.197386
O 6.460946 -1.268064 1.273978
O 7.015581 -0.554945 -1.009444
O 8.797360 0.035252 0.839806
O -4.837412 -1.640089 -0.609128
N 2.931970 -0.646665 -1.119557
N 0.548037 -1.282213 -0.523314
N 3.903076 -2.675128 -0.659442
N 0.347887 -3.574211 0.270852
N -1.554178 -2.137569 0.262455
C 2.914970 0.795227 -1.456118
C 4.432018 2.009178 -0.064541
C 2.169009 1.668670 -0.437116
C 3.019635 2.374995 0.321387
C 5.084434 1.130509 1.011901
C 1.922521 -1.496719 -0.645407
C 4.135073 -1.445686 -1.117902
C 2.538666 -2.740635 -0.358449
C 1.761147 -3.877834 0.168472
C -0.187040 -2.409628 -0.002935
C -0.021738 2.280130 0.453489
C -1.370102 1.705048 0.255845
C -2.089136 1.287065 1.385425
C -1.883497 1.522379 -1.037648
C -3.789372 0.387931 -0.079104
C -3.307490 0.624551 1.212933
C -3.100737 0.861617 -1.203564
C -5.006011 -0.484988 -0.276104
C -6.341081 0.115984 -0.045232
C -6.504583 1.485856 0.217652
C -7.467102 -0.723905 -0.102150
C -7.782660 2.007133 0.424647
C -8.743629 -0.198008 0.107620
C -8.901413 1.166382 0.371020
H 2.628697 0.950010 -2.522528
H 5.086240 2.855472 -0.369949
H 2.795604 3.094655 1.096456
H 4.713124 0.085800 0.983558
H 4.906315 1.548101 2.027583
H 5.073986 -1.033114 -1.487459
H 0.151041 -0.344352 -0.597706
H -2.078399 -1.679849 -0.480435
H -2.067809 -2.956571 0.605589
H -1.692843 1.458596 2.389980
H -1.324653 1.881653 -1.905003
H -3.863911 0.270374 2.084026
H -3.504829 0.698613 -2.205049
H 6.210150 -2.082609 0.740227
H 7.684592 -0.386029 -1.714441
H -5.637626 2.146959 0.258817
H -7.330827 -1.789565 -0.312655
H -7.911045 3.069906 0.628209
H -9.615163 -0.851344 0.064899
H -9.898552 1.577799 0.534673


%chk=000192276-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000192276

0 1
P 7.484416 -0.342972 0.383531
O 4.216903 1.641435 -1.186545
O 0.691728 1.226145 -0.419996
O 6.501891 1.067376 0.752178
O 3.606458 -4.832445 0.503129
O 0.069187 2.519819 1.443784
O 6.563391 -1.689839 0.722234
O 7.459031 -0.308774 -1.361771
O 8.929399 -0.202684 1.004525
O -5.708376 -1.304291 -1.162107
N 3.211872 -0.530303 -1.321134
N 1.119333 -1.625969 -0.442091
N 4.645662 -2.239812 -0.879835
N 1.455460 -3.876223 0.401517
N -0.682841 -2.920526 0.377548
C 2.957353 0.962152 -1.420563
C 4.279104 2.011723 0.275838
C 2.071061 1.471590 -0.284456
C 2.816516 2.062726 0.684163
C 5.093216 1.013763 1.139787
C 2.474444 -1.555746 -0.717070
C 4.523912 -1.019749 -1.430203
C 3.355835 -2.614940 -0.451173
C 2.873514 -3.860440 0.183727
C 0.672298 -2.847718 0.118524
C -0.268427 1.783716 0.499910
C -1.637257 1.317627 0.168297
C -2.666058 1.592585 1.107359
C -1.942254 0.599291 -1.022702
C -4.287210 0.420140 -0.312987
C -3.981229 1.152924 0.864857
C -3.252979 0.145205 -1.248800
C -5.651214 -0.181277 -0.569698
C -6.893218 0.521024 -0.122667
C -6.957039 1.932256 0.046172
C -8.067415 -0.258120 0.072912
C -8.172620 2.548159 0.413160
C -9.274262 0.357497 0.454820
C -9.329484 1.762800 0.627072
H 2.608366 1.212356 -2.434908
H 4.779293 2.994725 0.297354
H 2.456785 2.499436 1.613273
H 4.685097 -0.012387 1.079224
H 5.024109 1.349985 2.193332
H 5.355204 -0.422828 -1.801582
H 0.518161 -0.802665 -0.535317
H -1.353560 -2.218575 0.071734
H -1.013981 -3.792893 0.783408
H -2.415530 2.140098 2.021668
H -1.165787 0.429222 -1.774522
H -4.762726 1.348659 1.605296
H -3.501228 -0.428234 -2.147534
H 5.901615 -2.140328 -0.001204
H 8.303348 0.014659 -1.765439
H -6.073696 2.550677 -0.145475
H -8.007200 -1.340042 -0.084362
H -8.220608 3.636359 0.526268
H -10.171529 -0.249396 0.614833
H -10.270236 2.242541 0.918509


