%chk=000200733.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200733

0 1
P 3.221051 0.378061 0.622968
P -0.805405 -1.298551 1.038676
O 4.122806 1.222622 1.471085
O -1.358610 0.258609 0.980793
O -1.447726 -1.996786 -0.328444
O -1.160088 -1.948635 2.316476
N 4.038617 -1.048553 -0.045619
N 2.569861 1.219600 -0.789942
C 5.504759 -1.186719 0.216370
C 4.515303 -2.118319 0.883233
C 3.258199 1.134376 -2.115657
C 3.323203 2.407232 -1.301716
C 1.667084 -0.260088 1.447965
C 0.987211 -1.243956 0.522321
C -1.192016 0.969790 -0.280243
C -2.765607 -2.585615 -0.177207
C -2.233760 2.085028 -0.190046
C -3.839720 -1.514648 -0.370963
C -2.106586 3.060141 -1.365392
C -5.228090 -2.153638 -0.502177
C -3.145375 4.175526 -1.280669
C -6.314976 -1.097972 -0.688909
H 6.097426 -1.531252 -0.637761
H 6.054567 -0.443091 0.810324
H 4.352539 -2.076285 1.963888
H 4.382610 -3.140307 0.507803
H 4.146488 0.514993 -2.273204
H 2.580588 1.062654 -2.974612
H 2.697641 3.267052 -1.568041
H 4.259978 2.739914 -0.837929
H 1.924053 -0.715212 2.430448
H 1.036233 0.628097 1.702846
H 1.052075 -0.979835 -0.557448
H 1.430251 -2.260972 0.589367
H -1.375643 0.300808 -1.141910
H -0.156822 1.366130 -0.313248
H -2.767995 -3.332018 -0.996659
H -2.856341 -3.109210 0.795303
H -2.114514 2.616574 0.776963
H -3.249927 1.646058 -0.149873
H -3.605680 -0.911423 -1.270435
H -3.835160 -0.795348 0.474514
H -2.220261 2.515929 -2.323694
H -1.088816 3.499132 -1.382981
H -5.449517 -2.759674 0.399529
H -5.242648 -2.858899 -1.356497
H -4.167363 3.779552 -1.297161
H -3.049110 4.871828 -2.121383
H -3.037141 4.758591 -0.358233
H -6.355670 -0.406351 0.161195
H -7.304288 -1.560811 -0.780589
H -6.147587 -0.498728 -1.591024


%chk=000200733-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200733

0 1
P 3.317001 0.183270 0.632188
P -0.959119 -1.251061 0.834760
O 4.274327 1.085052 1.567742
O -1.526258 0.404520 0.761836
O -1.618493 -2.049230 -0.567815
O -1.331978 -1.907897 2.234340
N 3.980914 -1.407462 0.126052
N 2.880916 0.903975 -0.960128
C 5.487056 -1.511662 -0.044180
C 4.822857 -2.147296 1.159135
C 3.989505 1.526087 -1.788649
C 3.004386 2.419477 -1.064391
C 1.627245 -0.251872 1.312128
C 0.842413 -1.155286 0.345065
C -1.431923 1.152414 -0.521875
C -2.901753 -2.791820 -0.397250
C -2.078167 2.518949 -0.283713
C -4.120015 -1.858585 -0.424851
C -2.008909 3.419274 -1.540346
C -5.445918 -2.646904 -0.302675
C -2.661405 4.799359 -1.309020
C -6.682980 -1.723124 -0.322349
H 5.794518 -2.128036 -0.893737
H 6.088536 -0.613732 0.146740
H 4.993482 -1.661804 2.128645
H 4.645301 -3.226261 1.183918
H 5.012380 1.497945 -1.393005
H 3.891260 1.351176 -2.863926
H 2.187905 2.895961 -1.615251
H 3.378332 2.956432 -0.183190
H 1.774795 -0.730676 2.295644
H 1.112228 0.711569 1.483192
H 0.883973 -0.769326 -0.687260
H 1.236820 -2.183843 0.334714
H -1.957085 0.587662 -1.316980
H -0.365388 1.264298 -0.813531
H -2.906516 -3.494220 -1.248388
H -2.862739 -3.361152 0.552004
H -1.569387 3.014236 0.565503
H -3.131826 2.368403 0.018992
H -4.115818 -1.277419 -1.368263
H -4.042948 -1.133194 0.409088
H -2.508516 2.910173 -2.389506
H -0.948859 3.557200 -1.838591
H -5.438144 -3.232028 0.638958
H -5.518781 -3.382179 -1.129985
H -3.728401 4.691967 -1.038422
H -2.603545 5.430174 -2.214718
H -2.160272 5.341085 -0.485183
H -6.650074 -1.002642 0.515968
H -7.619579 -2.303269 -0.233706
H -6.731253 -1.143278 -1.263327


