%chk=000196333.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196333

0 1
P 3.659496 1.246969 -0.100008
O 0.668035 -1.461213 1.088462
O -0.988284 -4.244885 0.046426
O 1.530772 -4.330620 0.061737
O 3.426199 -0.368844 -0.094159
O 2.904180 1.707908 -1.483188
O 5.247259 1.235711 -0.519874
O 3.370974 2.084579 1.080078
N -1.481715 -0.817705 0.252612
N -3.489389 0.205092 -0.275601
N -0.041411 1.251625 0.288561
N -1.348667 3.311670 -0.154415
N -3.625645 3.254906 -0.771702
N 0.977914 3.393158 0.301018
C -0.621200 -1.932376 0.721514
C -0.439100 -3.017314 -0.390676
C 1.097617 -3.132373 -0.594952
C 1.707294 -1.956714 0.197947
C 2.194895 -0.829083 -0.715910
C -1.207482 0.554017 0.128090
C -2.915822 -0.960865 0.021372
C -2.465467 1.168711 -0.214918
C -3.605045 -2.258904 0.156674
C -2.494825 2.583402 -0.380692
C -0.188735 2.620472 0.164840
H -1.060222 -2.348332 1.665497
H -0.990800 -2.786834 -1.327512
H 1.392313 -3.156791 -1.660927
H 2.511118 -2.280366 0.908018
H 1.424871 -0.031631 -0.811751
H 2.495008 -1.185008 -1.721679
H -0.372479 -4.679278 0.707585
H 1.566554 -5.074712 -0.582075
H -3.810988 -2.491226 1.215054
H -4.582435 -2.236993 -0.358386
H -3.040304 -3.109708 -0.258148
H -4.503447 2.760865 -0.837480
H -3.637403 4.262083 -0.803498
H 1.677226 3.034204 0.981051
H 0.821005 4.394464 0.396561
H 2.259875 2.479401 -1.410641
H 5.860360 1.761641 0.060796


%chk=000196333-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196333

0 1
P 3.642131 1.388230 0.142899
O 0.630233 -1.613225 1.127653
O -1.209567 -3.717201 -1.245831
O 0.926533 -4.480661 0.077611
O 3.357158 -0.289927 0.373572
O 2.963094 1.800488 -1.347518
O 5.342096 1.295245 -0.077387
O 3.202957 2.374717 1.328876
N -1.542626 -0.845228 0.364072
N -3.569609 0.224559 0.184942
N -0.049198 1.124825 -0.086214
N -1.340050 3.184192 -0.474428
N -3.703625 3.205651 -0.530133
N 1.037339 3.204765 -0.387610
C -0.630714 -1.996055 0.495259
C -0.276490 -2.672740 -0.873421
C 1.155537 -3.201177 -0.614683
C 1.767872 -2.117607 0.298241
C 2.429691 -1.006023 -0.525027
C -1.251749 0.496174 0.065512
C -2.962055 -0.951226 0.428735
C -2.520617 1.129613 -0.037842
C -3.673962 -2.236675 0.714492
C -2.534560 2.517266 -0.355015
C -0.191537 2.460832 -0.313095
H -1.141366 -2.737645 1.137014
H -0.287947 -1.928883 -1.686575
H 1.732688 -3.360498 -1.544510
H 2.506388 -2.527445 1.010305
H 1.673705 -0.312339 -0.931055
H 3.031410 -1.441732 -1.346928
H -0.901219 -4.543393 -0.779048
H 1.781704 -4.917158 0.308125
H -3.429025 -2.630591 1.719421
H -4.756329 -2.042955 0.674823
H -3.416450 -3.013210 -0.028067
H -4.591247 2.717925 -0.427097
H -3.672859 4.200871 -0.739245
H 1.602087 3.133743 0.495471
H 0.851902 4.179627 -0.654881
H 2.085168 2.441949 -1.162323
H 5.815207 2.122027 0.196611


