%chk=000256106.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256106

0 1
P 2.460963 2.504843 1.748851
O 1.479432 -1.722130 0.410554
O 2.785733 1.226206 0.779863
O 1.893852 0.414671 -2.375429
O 2.728313 -3.860423 -1.344340
O 1.255723 1.870354 2.679972
O 1.468515 3.478895 0.852607
O 3.631866 3.117986 2.357452
N -0.427321 -0.431359 0.906442
N -2.576445 -0.685510 1.706556
N -0.992606 -0.105990 -1.527266
N -3.403247 -0.181213 -1.951354
N -5.002799 -0.518370 -0.242442
C 1.679867 0.647695 0.055547
C 2.348967 -0.088245 -1.141401
C 1.050459 -0.468675 0.936227
C 1.983684 -1.581892 -0.956007
C 3.176878 -2.538761 -1.039384
C -1.279542 -0.330607 -0.202723
C -1.286799 -0.670645 2.040993
C -2.614787 -0.478299 0.315723
C -3.693616 -0.399124 -0.614102
C -2.098710 -0.047993 -2.326494
H 0.960065 1.424813 -0.294136
H 1.397266 -0.465384 2.002701
H 3.447223 0.113707 -1.163669
H 1.157439 -1.896844 -1.634305
H 3.756411 -2.547209 -0.097017
H 3.837932 -2.295768 -1.895953
H 0.906570 0.285374 -2.477907
H -0.876367 -0.804896 3.033977
H 2.169902 -4.203263 -0.610610
H -1.922338 0.125860 -3.403413
H 0.445381 2.429602 2.819543
H 1.838772 4.294768 0.437735
H -5.244722 -0.704947 0.719794
H -5.741116 -0.477028 -0.928886


%chk=000256106-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256106

0 1
P 2.723465 2.138874 1.842156
O 1.195821 -1.875787 -0.091707
O 2.797047 0.879569 0.679781
O 1.169044 0.255735 -2.551591
O 3.536010 -3.451706 -0.298152
O 1.325727 1.623674 2.703910
O 2.015502 3.505287 1.049821
O 4.080506 2.397349 2.603659
N -0.611724 -0.510001 0.678405
N -2.706686 -0.538462 1.627759
N -1.289942 -0.314395 -1.720376
N -3.720530 -0.263751 -2.002382
N -5.216341 -0.374568 -0.179517
C 1.585311 0.522608 -0.114333
C 2.071572 -0.065110 -1.474680
C 0.851220 -0.640289 0.618698
C 2.192779 -1.582184 -1.185412
C 3.573553 -2.041822 -0.693311
C -1.522339 -0.417053 -0.379067
C -1.385283 -0.586303 1.854566
C -2.806519 -0.435049 0.226825
C -3.933203 -0.358106 -0.643527
C -2.439568 -0.241791 -2.459970
H 0.954718 1.415392 -0.263576
H 1.196826 -0.696760 1.664937
H 3.045882 0.378645 -1.738774
H 1.866609 -2.180934 -2.051622
H 3.917892 -1.397314 0.142392
H 4.306295 -1.982538 -1.516446
H 0.202837 -0.035186 -2.308950
H -0.916698 -0.670794 2.832628
H 2.752428 -3.562927 0.301873
H -2.312996 -0.155262 -3.542457
H 0.916255 2.299406 3.300935
H 2.664044 4.163958 0.691490
H -5.394560 -0.451020 0.820087
H -5.984156 -0.321186 -0.846372


