%chk=000256105.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256105

0 1
P 3.445342 1.974289 -0.544562
O 0.842868 -2.077146 0.645372
O 2.630675 0.557192 -0.708422
O 1.026225 0.882077 2.266590
O 3.179860 -3.744993 -0.258607
O 4.366026 1.903150 -1.896820
O 4.526917 1.558600 0.620128
O 2.683955 3.209439 -0.348786
N -1.171940 -0.951870 0.240500
N -2.772290 -1.561460 -1.292572
N -2.202314 1.194411 1.033325
N -4.330905 1.671711 -0.081081
N -5.283446 0.258789 -1.720601
C 2.265783 -0.137835 0.499899
C 0.864736 0.325146 0.969300
C 0.035369 -0.989144 1.097355
C 2.084668 -1.600378 0.034810
C 3.174618 -2.556912 0.532068
C -2.149783 0.049353 0.273503
C -1.607637 -1.909299 -0.738232
C -3.142632 -0.346994 -0.687651
C -4.266201 0.520604 -0.844564
C -3.315886 1.942270 0.797263
H 3.028602 -0.012027 1.305983
H 0.408038 1.069649 0.275866
H -0.249858 -1.232952 2.152249
H 1.949919 -1.664785 -1.070899
H 3.037153 -2.812875 1.599175
H 4.188402 -2.137202 0.362611
H 0.269630 1.500918 2.454407
H -1.015764 -2.790496 -0.953728
H 2.351650 -4.253829 -0.106554
H -3.420120 2.877195 1.375589
H 4.063145 2.426271 -2.686378
H 5.001095 2.290536 1.094140
H -5.261301 -0.571752 -2.292919
H -6.062798 0.891748 -1.811655


%chk=000256105-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256105

0 1
P 3.946342 2.140771 -0.399444
O 0.951309 -2.071908 0.017312
O 3.213322 0.629143 -0.984798
O 0.694735 1.516013 0.799384
O 3.178621 -3.889579 -0.416713
O 4.933184 1.537738 0.896811
O 2.719767 2.918509 0.408188
O 4.742488 2.876451 -1.546820
N -1.194599 -1.007963 0.185501
N -3.251065 -1.857516 -0.374538
N -1.843949 1.370242 0.567900
N -4.228709 1.751953 0.211853
N -5.719075 0.040756 -0.430235
C 2.396452 -0.115576 -0.030907
C 0.921024 0.332024 -0.008146
C 0.230108 -0.926592 0.569365
C 2.296654 -1.584540 -0.497786
C 3.370208 -2.519495 0.055220
C -2.090409 0.058551 0.250428
C -1.947716 -2.137783 -0.188600
C -3.353507 -0.481690 -0.097321
C -4.453384 0.427739 -0.110804
C -2.970106 2.150614 0.525589
H 2.821016 -0.044938 0.993288
H 0.585663 0.492486 -1.054274
H 0.300308 -0.926560 1.676574
H 2.266538 -1.636436 -1.601037
H 3.376238 -2.468084 1.165168
H 4.356433 -2.207257 -0.326432
H -0.370126 1.691881 0.788998
H -1.480822 -3.109034 -0.323273
H 2.279049 -4.189917 -0.127188
H -2.838917 3.207989 0.768925
H 5.902830 1.568770 0.694470
H 1.806321 2.409851 0.631422
H -5.908895 -0.929417 -0.676286
H -6.465530 0.734203 -0.425692


