%chk=000238024.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238024

0 1
P 1.437531 0.057288 0.039593
P -1.494151 0.480719 -0.026340
P -0.283374 -1.921367 -1.198376
N 0.091175 1.060106 0.109883
N 2.663176 0.907827 -0.893665
N 1.963215 -0.220478 1.709316
N -2.350370 0.657633 1.507381
N -2.386522 1.533194 -1.126495
N 1.244594 -1.474159 -0.652277
N -1.594906 -1.142555 -0.506751
N -0.316665 -1.756266 -2.957400
N -0.496517 -3.657282 -0.934647
C 2.863854 2.324909 -0.498035
C 3.933591 0.154092 -1.044984
C 3.064971 -1.204966 1.861027
C 2.196868 1.028246 2.480050
C -3.762310 0.190588 1.371793
C -1.626608 -0.070917 2.589823
C -2.265599 2.957775 -0.695432
C -1.916873 1.333045 -2.528412
H 3.387736 2.847987 -1.318306
H 1.881560 2.829376 -0.382288
H 3.448280 2.478758 0.423160
H 4.577501 0.129933 -0.150766
H 3.719904 -0.888563 -1.358458
H 4.518548 0.609956 -1.864395
H 4.067209 -0.830844 1.595755
H 2.856115 -2.107408 1.251690
H 3.101393 -1.537591 2.913644
H 2.202531 0.784690 3.557533
H 1.359413 1.738743 2.321983
H 3.142228 1.548280 2.254412
H -3.882082 -0.880300 1.127823
H -4.278466 0.777813 0.587652
H -4.293990 0.383602 2.318475
H -0.615336 0.360569 2.724898
H -1.522800 -1.159791 2.444275
H -2.160935 0.085850 3.542672
H -2.901075 3.580904 -1.346997
H -2.651133 3.072832 0.335598
H -1.241626 3.371532 -0.725535
H -2.477272 2.009362 -3.195955
H -0.841518 1.512355 -2.704641
H -2.157061 0.302821 -2.858210
H -1.023554 -2.332380 -3.430148
H 0.585474 -1.938576 -3.415931
H -1.364665 -3.896227 -0.433867
H 0.282043 -4.100714 -0.428620


%chk=000238024-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238024

0 1
P 1.669659 0.111675 0.113821
P -1.283217 0.452040 -0.019910
P 0.010441 -1.889499 -1.346278
N 0.265544 1.052593 0.405999
N 2.847909 1.278555 -0.418081
N 2.470168 -0.498751 1.553356
N -2.231297 0.553811 1.443813
N -2.197566 1.539001 -1.045161
N 1.542442 -1.223344 -0.957146
N -1.392645 -1.093662 -0.761655
N 0.170514 -2.118085 -3.047456
N -0.310979 -3.511413 -0.861479
C 2.414688 2.475861 -1.153836
C 4.219133 0.819303 -0.696927
C 2.214835 -1.878391 1.991698
C 2.825620 0.453667 2.618288
C -3.652922 0.171318 1.384321
C -1.578954 0.383100 2.750088
C -2.371945 2.934455 -0.607886
C -2.212665 1.321510 -2.499495
H 2.470821 2.339359 -2.256874
H 1.377401 2.712793 -0.866375
H 3.064690 3.329234 -0.878193
H 4.935804 1.625175 -0.444252
H 4.448284 -0.062610 -0.076607
H 4.359786 0.546350 -1.764881
H 3.111617 -2.267999 2.511457
H 2.020048 -2.509592 1.108534
H 1.351023 -1.953810 2.690832
H 2.033205 0.537129 3.394913
H 2.993267 1.450930 2.179022
H 3.760622 0.124523 3.113031
H -3.810246 -0.900360 1.632855
H -4.041636 0.356762 0.369597
H -4.230661 0.786208 2.101997
H -0.540489 0.746763 2.681226
H -1.577198 -0.675776 3.094933
H -2.116206 0.988871 3.505438
H -3.352340 3.312220 -0.958884
H -2.351780 2.980277 0.493466
H -1.577147 3.603447 -1.004687
H -3.177379 1.677899 -2.910061
H -1.393089 1.863123 -3.023232
H -2.121931 0.242013 -2.705488
H -0.501434 -2.675656 -3.569947
H 0.853320 -1.558717 -3.553543
H -0.962771 -3.673986 -0.097407
H 0.239158 -4.287912 -1.221440


