%chk=000256580.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256580

0 1
P -5.525125 0.848603 -0.201337
O -5.708679 -0.796408 -0.236586
O -6.383634 1.311578 1.148964
O -5.956117 1.457502 -1.475945
O 3.472000 -2.197458 0.771532
O 4.099674 1.463428 -1.994426
N 3.467346 -0.420206 -0.754635
C -0.351009 -0.021530 -0.883843
C -1.368159 0.674400 0.030290
C 1.077091 0.144478 -0.351090
C -2.803770 0.489166 -0.489164
C 2.084112 -0.568504 -1.266573
C -3.804027 1.184807 0.427802
C 4.034864 -1.262177 0.266286
C 4.360335 0.633906 -1.163824
C 5.412627 -0.706577 0.499906
C 5.605490 0.419524 -0.348778
C 6.402560 -1.131781 1.358404
C 6.788816 1.124872 -0.342139
C -5.554292 -1.509519 1.021339
C -7.776786 1.654429 0.927881
C 7.619651 -0.408403 1.368669
C 7.807856 0.691300 0.540053
C -6.354983 -2.784490 0.820514
C -8.638595 0.405186 0.871649
H -0.423402 0.392466 -1.909298
H -0.599205 -1.097624 -0.972507
H -1.285048 0.276753 1.059915
H -1.132236 1.753888 0.104101
H 1.332353 1.219792 -0.272457
H 1.150334 -0.261992 0.677537
H -2.869335 0.893919 -1.523744
H -3.021241 -0.597443 -0.575766
H 1.850965 -1.656290 -1.334253
H 2.046526 -0.146127 -2.297857
H -3.627201 2.280468 0.447663
H -3.698961 0.855707 1.478759
H 6.259256 -1.995041 2.009464
H 6.940835 1.987797 -0.991815
H -4.474118 -1.717086 1.149404
H -5.938136 -0.912255 1.871710
H -7.991645 2.266936 1.827071
H -7.882353 2.281374 0.019225
H 8.416992 -0.727896 2.041622
H 8.753060 1.236155 0.561820
H -7.430737 -2.576555 0.757571
H -6.079608 -3.266982 -0.129688
H -6.186818 -3.502046 1.629746
H -8.496401 -0.162155 -0.059990
H -8.410768 -0.275732 1.701402
H -9.703754 0.659242 0.930917


%chk=000256580-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000256580

0 1
P -5.584441 0.787287 -0.154251
O -5.894991 -0.934417 -0.190595
O -6.487156 1.388937 1.215384
O -5.954399 1.446241 -1.553332
O 3.655573 -2.254094 0.713921
O 4.129325 1.607172 -1.940432
N 3.572144 -0.368968 -0.736200
C -0.288014 -0.087464 -0.839231
C -1.353085 0.577561 0.061329
C 1.149545 0.139147 -0.322941
C -2.793922 0.333150 -0.442286
C 2.198193 -0.543666 -1.230545
C -3.839309 0.993593 0.480462
C 4.192208 -1.234886 0.211440
C 4.429906 0.703310 -1.121426
C 5.561212 -0.667567 0.440552
C 5.703721 0.493555 -0.358297
C 6.599679 -1.117887 1.268709
C 6.889376 1.242696 -0.355958
C -5.807671 -1.725996 1.066387
C -7.855710 1.927469 0.959799
C 7.804070 -0.366140 1.279385
C 7.946751 0.795893 0.479499
C -6.437874 -3.083826 0.765276
C -8.894402 0.811045 0.806743
H -0.380378 0.310455 -1.870788
H -0.490098 -1.176847 -0.902007
H -1.250443 0.189754 1.096323
H -1.159974 1.668716 0.113825
H 1.364576 1.224197 -0.273332
H 1.245211 -0.264367 0.703873
H -2.902806 0.734581 -1.468905
H -2.984794 -0.756263 -0.509154
H 2.001254 -1.629695 -1.286560
H 2.157952 -0.117854 -2.249368
H -3.674525 2.083332 0.556567
H -3.810619 0.574900 1.502412
H 6.478689 -2.017178 1.880673
H 6.988343 2.137420 -0.978483
H -4.741613 -1.836665 1.355219
H -6.344332 -1.195276 1.876441
H -8.052234 2.552823 1.846435
H -7.822621 2.566627 0.057157
H 8.637153 -0.686790 1.914021
H 8.887899 1.355327 0.508404
H -7.497063 -2.962462 0.481876
H -5.911755 -3.578009 -0.069024
H -6.381257 -3.738188 1.655281
H -8.689384 0.201473 -0.090636
H -8.897901 0.151254 1.692361
H -9.903409 1.251989 0.699501


