%chk=000228119.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228119

0 1
O -3.785265 2.480782 -1.057491
O -1.628810 2.445706 -1.086844
O -5.422408 -2.950901 1.341709
O -6.389713 -1.157545 0.612937
N 0.830444 -0.336497 0.050389
N -0.306377 0.425447 -0.174858
N -2.724348 1.930100 -0.832636
N -5.400821 -1.826744 0.866010
C 2.350778 1.638731 -0.431742
C 3.143881 -0.755883 0.151377
C 3.768426 -1.301889 -1.103243
C 4.703690 -2.486453 -0.818119
C 2.015407 0.196678 -0.075923
C 5.572175 -2.225329 0.418649
C 4.696057 -1.995574 1.659589
C 3.567157 2.128018 0.382807
C 2.597159 1.774892 -1.948591
C 3.552033 -1.066145 1.389887
C 3.710684 3.646036 0.349794
C 1.341644 1.552202 -2.783015
C -1.538766 -0.137033 0.055669
C -2.734438 0.604851 -0.242386
C -1.678262 -1.457497 0.607761
C -3.997942 0.033910 0.033524
C -2.909964 -1.992242 0.862894
C -4.089138 -1.237160 0.577933
H 1.482823 2.296716 -0.159247
H 4.324901 -0.486092 -1.614593
H 2.974583 -1.619465 -1.811533
H 5.341308 -2.682582 -1.699828
H 4.102061 -3.403953 -0.662398
H 6.215123 -1.340847 0.245918
H 6.257558 -3.075624 0.590721
H 4.286714 -2.965258 2.018346
H 5.316493 -1.604536 2.491003
H 3.467080 1.791698 1.435122
H 4.493585 1.650395 0.005720
H 2.997627 2.791237 -2.150686
H 3.395790 1.073090 -2.265977
H 3.058509 -0.667085 2.275631
H 2.837988 4.149527 0.782941
H 3.829924 4.024429 -0.673004
H 4.589105 3.970581 0.920793
H 0.990048 0.515276 -2.735460
H 1.531037 1.773504 -3.841649
H 0.513248 2.205965 -2.473782
H -0.236977 1.396883 -0.577819
H -0.765280 -2.027776 0.818700
H -4.912672 0.612817 -0.191975
H -3.023660 -2.999159 1.286878


%chk=000228119-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228119

0 1
O -3.786298 2.714904 -0.674950
O -1.517973 2.591888 -0.852551
O -5.444034 -2.924531 1.527223
O -6.439623 -0.968072 0.888478
N 0.861843 -0.372134 0.046000
N -0.266488 0.429361 -0.116470
N -2.685050 2.061559 -0.539159
N -5.397880 -1.711022 1.076188
C 2.316274 1.612097 -0.621361
C 3.195019 -0.787112 0.049187
C 4.311657 -0.910660 -0.990156
C 5.140748 -2.204098 -0.801130
C 2.059944 0.155836 -0.196978
C 5.542275 -2.395493 0.677313
C 4.279795 -2.537241 1.558687
C 3.447992 2.254561 0.241595
C 2.570440 1.775297 -2.155247
C 3.194105 -1.550889 1.184648
C 3.478281 3.796461 0.155005
C 1.436103 1.230240 -3.049847
C -1.509709 -0.084795 0.161735
C -2.714846 0.695068 -0.028649
C -1.657571 -1.424348 0.657922
C -3.985738 0.158002 0.274148
C -2.910065 -1.951173 0.952554
C -4.073973 -1.150578 0.760153
H 1.405694 2.207384 -0.395874
H 4.988705 -0.032941 -0.941587
H 3.872624 -0.904660 -2.006453
H 6.037800 -2.165717 -1.447588
H 4.541265 -3.076341 -1.129699
H 6.131733 -1.518747 1.012121
H 6.189984 -3.284135 0.794399
H 3.869316 -3.566782 1.469738
H 4.537829 -2.414236 2.629576
H 3.302601 1.955849 1.297865
H 4.430288 1.847546 -0.064919
H 2.699271 2.855280 -2.357910
H 3.527846 1.291705 -2.423066
H 2.352773 -1.442961 1.882227
H 2.504267 4.231355 0.448463
H 3.713601 4.152188 -0.863874
H 4.246764 4.207501 0.834451
H 1.261630 0.151536 -2.879439
H 1.685531 1.364739 -4.117786
H 0.484997 1.763572 -2.863546
H -0.264141 1.400510 -0.487132
H -0.745587 -2.009090 0.789636
H -4.883155 0.763865 0.125931
H -3.026666 -2.970345 1.330034


