%chk=000275761.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000275761

0 1
P 0.043378 1.373136 -0.289932
O 0.375471 2.936557 -0.761142
O 0.094820 1.039827 1.142407
O 6.813917 -2.247903 -0.901894
O -5.038950 -3.672213 0.899186
O 6.365148 -2.299903 1.313481
O -6.365012 -3.064952 -0.829033
N 1.170048 0.575400 -1.341979
N -1.484287 1.186888 -1.107028
C 2.374799 -0.040374 -0.914591
C -2.425165 0.168434 -0.821708
C 3.303508 -0.408103 -1.918976
C -2.280841 -0.709585 0.273691
C 2.653150 -0.318786 0.440170
C -3.541846 0.049803 -1.685210
C 4.768471 -1.321111 -0.217320
C -4.337895 -1.829058 -0.374101
C -0.223998 3.982643 -0.055896
C 4.487565 -1.044617 -1.565652
C -3.234349 -1.699487 0.486718
C 3.842982 -0.954038 0.777084
C -4.486191 -0.943145 -1.456572
C -0.271104 4.042146 1.340734
C -0.700450 5.015823 -0.876146
C 6.013791 -1.992446 0.195151
C -5.362248 -2.869833 -0.175839
C -0.829030 5.183195 1.925637
C -1.244980 6.145446 -0.263053
C -1.314447 6.228628 1.132887
C 8.080636 -2.941246 -0.671061
C -5.971633 -4.741615 1.254571
C 7.828842 -4.423381 -0.486571
C -7.146014 -4.165378 2.017833
H 1.084204 0.701634 -2.366808
H -1.738566 1.834003 -1.873860
H 3.098535 -0.197434 -2.965377
H -1.450754 -0.617350 0.982262
H 1.951057 -0.054527 1.240739
H -3.667107 0.728883 -2.524294
H 5.210707 -1.333644 -2.335096
H -3.131753 -2.386570 1.334025
H 4.069102 -1.175907 1.826248
H -5.353421 -1.046214 -2.117502
H 0.111502 3.232826 1.970520
H -0.623210 4.933905 -1.956843
H -0.880927 5.254471 3.013123
H -1.618014 6.965601 -0.876693
H -1.745036 7.111165 1.602753
H 8.578741 -2.483401 0.202495
H 8.620668 -2.701939 -1.604851
H -5.320635 -5.385356 1.873556
H -6.279613 -5.262237 0.330115
H 8.766052 -4.990688 -0.461853
H 7.298925 -4.618736 0.458581
H 7.208231 -4.831158 -1.294350
H -7.782918 -4.955119 2.432090
H -6.814145 -3.529479 2.848473
H -7.774611 -3.541777 1.363804


%chk=000275761-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000275761

0 1
P -0.104071 1.389194 -0.028050
O 0.322007 2.963802 -0.673038
O 0.022930 1.202158 1.545172
O 6.679348 -2.402935 -1.075868
O -5.108140 -4.017975 0.601715
O 6.730271 -1.642304 1.133447
O -6.621698 -2.984647 -0.848851
N 0.863119 0.317079 -0.975981
N -1.665897 1.243579 -0.787420
C 2.166864 -0.175059 -0.697162
C -2.597592 0.188956 -0.610833
C 2.852281 -0.864598 -1.735555
C -2.321096 -0.919874 0.235086
C 2.786696 -0.015436 0.572331
C -3.832872 0.246269 -1.314601
C 4.765027 -1.224786 -0.249567
C -4.492596 -1.908102 -0.347168
C -0.082703 4.206041 -0.087820
C 4.136561 -1.387304 -1.511437
C -3.263031 -1.955640 0.359817
C 4.074800 -0.535898 0.781530
C -4.766982 -0.792920 -1.181013
C -0.362993 4.366471 1.288343
C -0.136935 5.293861 -0.986902
C 6.123949 -1.754281 0.036884
C -5.516397 -2.980991 -0.246687
C -0.723401 5.651597 1.755377
C -0.489079 6.570864 -0.497798
C -0.788402 6.753959 0.872908
C 8.039123 -2.989611 -0.885416
C -6.077669 -5.138191 0.790471
C 7.946681 -4.397396 -0.288903
C -7.073995 -4.812642 1.907233
H 0.486390 0.106733 -1.904323
H -1.978340 2.065125 -1.311536
H 2.376780 -0.986507 -2.716627
H -1.390329 -0.959268 0.810490
H 2.254954 0.491249 1.383158
H -4.053357 1.102461 -1.963567
H 4.665795 -1.918077 -2.307187
H -3.057202 -2.808953 1.011439
H 4.567133 -0.422449 1.752952
H -5.721047 -0.762831 -1.717342
H -0.294978 3.515393 1.973146
H 0.105961 5.130422 -2.041299
H -0.945118 5.786881 2.819603
H -0.528764 7.419521 -1.189329
H -1.063226 7.745024 1.248670
H 8.623786 -2.317318 -0.233136
H 8.463016 -2.998099 -1.902629
H -5.435434 -5.996423 1.045889
H -6.595918 -5.319316 -0.167562
H 8.955733 -4.847313 -0.236658
H 7.532214 -4.361997 0.732329
H 7.309934 -5.048847 -0.912251
H -7.724954 -5.687359 2.092780
H -6.547590 -4.568724 2.846172
H -7.714448 -3.960860 1.623676


