%chk=000200576.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200576

0 1
P 0.245396 -0.593928 0.002861
O 0.294465 -0.493954 -1.487081
N 0.479218 -2.219197 0.664544
N 1.477302 0.317029 0.861204
N -1.273071 -0.069836 0.709043
C -0.683343 -3.148453 0.810567
C 0.349689 -3.379747 -0.270264
C 2.521261 0.903640 -0.032192
C -2.049618 0.846779 -0.179574
C 3.124202 2.132597 0.673339
C -3.528893 0.793279 0.245113
C 4.180945 2.802877 -0.198594
C -4.388633 1.681238 -0.648604
H -1.703771 -2.839986 0.559722
H -0.670634 -3.754455 1.723461
H 1.112956 -4.156256 -0.147612
H 0.100407 -3.238700 -1.329335
H 1.910808 -0.158007 1.675262
H -1.223661 0.301955 1.674525
H 3.326895 0.176656 -0.281330
H 2.072181 1.215757 -1.007168
H -1.682554 1.897118 -0.138616
H -1.956268 0.520717 -1.245870
H 2.315824 2.850966 0.917457
H 3.563668 1.837811 1.645605
H -3.887017 -0.255113 0.201932
H -3.635151 1.101512 1.302905
H 4.604247 3.682082 0.300753
H 5.011425 2.124910 -0.426722
H 3.762569 3.141249 -1.154283
H -4.079141 2.731508 -0.599302
H -4.333209 1.372434 -1.699660
H -5.442891 1.636518 -0.351788


%chk=000200576-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200576

0 1
P 0.244286 -0.522893 -0.193425
O 0.011960 -0.828087 -1.755671
N 0.057016 -1.960245 0.898080
N 1.793870 -0.040410 0.390512
N -0.819884 0.729826 0.332820
C -1.154390 -2.839283 0.657278
C 0.216617 -3.323449 0.232660
C 2.617302 0.993372 -0.260689
C -2.040740 1.122068 -0.391318
C 3.372874 1.853401 0.775338
C -3.354972 0.666928 0.286720
C 4.285456 2.902821 0.104841
C -4.598902 1.143913 -0.494265
H -1.848034 -2.558243 -0.146091
H -1.617744 -3.224053 1.570846
H 0.752833 -4.058446 0.840395
H 0.427326 -3.330639 -0.844308
H 2.256626 -0.694125 1.025970
H -0.633841 1.151863 1.244300
H 3.343162 0.544280 -0.972378
H 1.945550 1.636774 -0.860339
H -2.052878 2.225086 -0.511624
H -1.965220 0.688332 -1.406298
H 2.634257 2.346733 1.435478
H 3.982231 1.189636 1.422680
H -3.354314 -0.437948 0.365948
H -3.389302 1.057893 1.323840
H 4.818179 3.509156 0.859331
H 5.044957 2.419094 -0.537595
H 3.698975 3.593123 -0.530117
H -4.628856 2.248042 -0.561317
H -4.596560 0.745236 -1.526047
H -5.532236 0.811243 -0.005258


