%chk=000194545.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194545

0 1
P -2.361046 0.510349 -1.943081
P -0.756066 -1.782052 1.471612
P -3.577988 -0.394927 0.649885
P -2.507530 -2.914849 -0.779453
P 0.217547 -2.313615 -1.605921
O 0.459429 2.937145 0.955096
O -1.249572 1.715295 -1.806765
O -1.266114 -0.247166 1.178404
O -2.804788 0.638692 -0.346213
O -1.272230 -0.683612 -2.416968
O 3.750972 4.223702 1.106810
O -3.429646 0.710913 -2.912823
O -1.105788 -2.806034 0.282788
O 0.789656 -1.787778 1.892803
O -1.364987 -2.294167 2.874144
O 5.841720 0.292114 2.140303
O -3.855196 0.568066 1.929200
O -2.939767 -1.709895 1.143825
O -5.095182 -0.507194 0.082819
O -1.232923 -2.962171 -1.961849
O -3.091899 -1.519604 -1.148661
O -3.223696 -4.161918 -0.653407
O 0.752140 -1.740533 -3.034014
O 1.186252 -3.616875 -1.480766
O 0.504344 -1.391793 -0.425453
N 2.694288 2.271320 0.446106
N 4.800713 2.239226 1.629968
C -0.164379 1.510004 -0.884387
C -0.537681 1.953670 0.555120
C 0.926535 2.498596 -1.332051
C 1.503169 3.050653 -0.026109
C -0.454016 0.866791 1.638861
C 2.738419 0.864862 0.387063
C 3.753621 3.008951 1.079803
C 3.761704 0.145848 0.912449
C 4.883144 0.801161 1.604638
C 3.825046 -1.338958 0.809235
H 0.193137 0.450173 -0.913394
H -1.510526 2.495862 0.580617
H 0.461466 3.313522 -1.933340
H 1.677088 2.042032 -1.997915
H 1.764986 4.141515 -0.022033
H -0.930939 1.216858 2.579061
H 0.590846 0.566587 1.846020
H 1.897560 0.361720 -0.124558
H 5.562706 2.758544 2.093337
H 4.456545 -1.652247 -0.038466
H 2.831176 -1.803969 0.659244
H 4.269720 -1.786177 1.715933
H -1.736415 -1.371399 -3.046092
H 1.496348 -1.791139 1.103392
H -4.550996 1.277957 1.816054
H -2.384296 -2.423122 2.894773
H -5.230304 -0.960370 -0.810411
H 0.457846 -0.822606 -3.322019
H 0.972544 -4.410258 -2.044515


%chk=000194545-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194545

0 1
P -2.521449 0.931031 -1.710834
P -1.457545 -1.846623 1.927996
P -4.716810 -0.035199 0.395932
P -2.487099 -3.643375 -0.733103
P 0.643053 -2.951714 -1.095567
O 0.803773 2.757128 1.404717
O -1.248986 1.999169 -1.351476
O -0.738690 -0.598285 1.000075
O -3.206566 0.619099 -0.092401
O -1.794795 -0.563920 -2.052637
O 3.934240 4.411093 1.464576
O -3.601809 1.496755 -2.706286
O -2.234963 -2.687042 0.705522
O -0.242786 -2.765628 2.600184
O -2.549336 -1.317042 2.978241
O 6.672940 0.630549 1.352176
O -5.933498 1.116919 0.309909
O -4.564480 -0.379571 1.963911
O -5.152535 -1.204271 -0.687144
O -0.895847 -3.685788 -1.426202
O -3.254339 -2.475004 -1.638657
O -3.136855 -5.046847 -0.488635
O 0.536638 -1.464209 -1.853141
O 1.719004 -3.865307 -2.012618
O 1.085297 -3.007496 0.427859
N 3.065352 2.439719 0.488948
N 5.259035 2.486462 1.379740
C 0.002897 1.649725 -0.617767
C -0.174566 1.758498 0.922379
C 1.017149 2.754811 -0.989584
C 1.756310 3.105657 0.316640
C 0.097896 0.445679 1.676548
C 3.288711 1.103360 0.119860
C 4.080551 3.203251 1.141274
C 4.456255 0.422667 0.363868
C 5.550857 1.128653 1.056584
C 4.686630 -1.011035 -0.042863
H 0.324085 0.640688 -0.922043
H -1.185898 2.131399 1.157434
H 0.438876 3.635440 -1.315969
H 1.691067 2.463237 -1.809532
H 1.957998 4.179263 0.444454
H -0.182325 0.547599 2.739716
H 1.152350 0.134138 1.598028
H 2.472855 0.611370 -0.416075
H 6.004264 3.012406 1.848720
H 5.530103 -1.085858 -0.752916
H 3.789655 -1.453761 -0.507735
H 4.964833 -1.622104 0.834092
H -2.491880 -1.475516 -1.997906
H 0.446876 -3.001719 1.846204
H -6.375418 1.196460 -0.576718
H -3.632195 -0.822090 2.482309
H -4.402024 -1.871359 -1.122766
H -0.435528 -1.029058 -1.984572
H 1.575369 -3.864705 -2.994048


